1-(4-methylphenyl)sulfonyl-N-(2-piperidin-1-ium-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-1-ium-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(2-piperidin-1-ium-1-ylethyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-1-ium-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(2-piperidin-1-ium-1-ylethyl)-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)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-7-9-19(10-8-17)27(25,26)23-14-5-6-18(16-23)20(24)21-11-15-22-12-3-2-4-13-22/h7-10,18H,2-6,11-16H2,1H3,(H,21,24)/p+1