1-(2-cyanophenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)isonipecotamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H28N4O3S/c21-16-18-6-1-2-7-19(18)28(26,27)24-14-8-17(9-15-24)20(25)22-10-5-13-23-11-3-4-12-23/h1-2,6-7,17H,3-5,8-15H2,(H,22,25)/p+1