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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-3-carboxamide Openeye Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[3-(1-piperidin-1-iumyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-3-carboxamide Traditional Name: N-(3-piperidin-1-ium-1-ylpropyl)-1-tosyl-nipecotamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-18-8-10-20(11-9-18)28(26,27)24-16-5-7-19(17-24)21(25)22-12-6-15-23-13-3-2-4-14-23/h8-11,19H,2-7,12-17H2,1H3,(H,22,25)/p+1