4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-(4-methylpiperidino)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-9-15-23(16-10-17)27(25,26)19-7-5-18(6-8-19)20(24)21-11-4-14-22-12-2-3-13-22/h5-8,17H,2-4,9-16H2,1H3,(H,21,24)/p+1