N-(4-methylphenyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C24H30N4O4S/c1-18-5-8-21(9-6-18)25-23(29)17-26-12-14-27(15-13-26)24(30)20-7-10-22-19(16-20)4-3-11-28(22)33(2,31)32/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,25,29)/p+1