1-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-31(29,30)27-15-7-10-19-16-20(11-12-23(19)27)24(28)25-17-21-8-3-4-9-22(21)18-26-13-5-2-6-14-26/h3-4,8-9,11-12,16H,2,5-7,10,13-15,17-18H2,1H3,(H,25,28)/p+1