1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-indan-5-ylsulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-indan-5-ylsulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C24H38N3O3S+ MolecularWeight: 448.64182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2)[NH+]4CCCCC4

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2)[NH+]4CCCCC4

InChI

InChI=1S/C24H37N3O3S/c1-24(2,26-13-4-3-5-14-26)18-25-23(28)20-11-15-27(16-12-20)31(29,30)22-10-9-19-7-6-8-21(19)17-22/h9-10,17,20H,3-8,11-16,18H2,1-2H3,(H,25,28)/p+1