(3S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-tosyl-nipecotamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-6-8-19(9-7-16)27(25,26)23-12-4-5-17(15-23)20(24)22(3)18-10-13-21(2)14-11-18/h6-9,17-18H,4-5,10-15H2,1-3H3/p+1/t17-/m0/s1