1-(3-ethanoylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(3-ethanoylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)isonipecotamide Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C21H31N3O4S/c1-17(25)19-6-4-7-20(16-19)29(27,28)24-14-8-18(9-15-24)21(26)22-10-5-13-23-11-2-3-12-23/h4,6-7,16,18H,2-3,5,8-15H2,1H3,(H,22,26)/p+1