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N-(5-Dimethylamino-1-naphthylsulfonyl)-L-methione piperidinium salt

View entire compound with spectra: 1 NMR

N-(5-Dimethylamino-1-naphthylsulfonyl)-L-methione piperidinium salt
SpectraBase Compound ID 5kmYUcHBDuy
InChI InChI=1S/C17H22N2O4S2.C5H11N/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3;1-2-4-6-5-3-1/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5H2/t14-;/m0./s1
InChIKey CYWQGVOVQFVYJN-UQKRIMTDSA-N
Mol Weight 467.64 g/mol
Molecular Formula C22H33N3O4S2
Exact Mass 467.191249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UJkdUaZZTT
Name N-(5-Dimethylamino-1-naphthylsulfonyl)-L-methione piperidinium salt
Comments Computed using HOSE algorithm
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Exact Mass 467.191248899 u
Formula C22H33N3O4S2
InChI InChI=1S/C17H22N2O4S2.C5H11N/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3;1-2-4-6-5-3-1/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5H2/t14-;/m0./s1
InChIKey CYWQGVOVQFVYJN-UQKRIMTDSA-N
Molecular Weight 467.643 g/mol
SMILES C1CCCNC1.C1=C(C=2C=CC=C(C2C=C1)N(C)C)S(=O)(=O)N[C@@](CCSC)(C(=O)O)[H]