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

Systemtic Name: 1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-31(29,30)27-12-5-6-19-18-20(9-10-22(19)27)23(28)24-11-13-25-14-16-26(17-15-25)21-7-3-2-4-8-21/h2-4,7-10,18H,5-6,11-17H2,1H3,(H,24,28)/p+1