1-(4-ethoxyphenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]piperidine-4-carboxamide Traditional Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C23H38N3O4S+ MolecularWeight: 452.63052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCC(CC3)C

InChI

InChI=1S/C23H37N3O4S/c1-3-30-21-5-7-22(8-6-21)31(28,29)26-17-11-20(12-18-26)23(27)24-13-4-14-25-15-9-19(2)10-16-25/h5-8,19-20H,3-4,9-18H2,1-2H3,(H,24,27)/p+1