1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-indan-5-ylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-indan-5-ylsulfonyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C27H36N3O3S+ MolecularWeight: 482.65804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C27H35N3O3S/c31-27(28-19-24-6-1-2-7-25(24)20-29-14-3-4-15-29)22-12-16-30(17-13-22)34(32,33)26-11-10-21-8-5-9-23(21)18-26/h1-2,6-7,10-11,18,22H,3-5,8-9,12-17,19-20H2,(H,28,31)/p+1