N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-tosyl-isonipecotamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H31N3O3S/c1-3-22-12-10-18(11-13-22)21-20(24)17-8-14-23(15-9-17)27(25,26)19-6-4-16(2)5-7-19/h4-7,17-18H,3,8-15H2,1-2H3,(H,21,24)/p+1