N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C24H32N4O3S/c1-19-5-3-7-22(17-19)27-15-13-26(14-16-27)12-10-25-24(29)21-8-9-23-20(18-21)6-4-11-28(23)32(2,30)31/h3,5,7-9,17-18H,4,6,10-16H2,1-2H3,(H,25,29)/p+1