1-methylsulfonyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbohydrazide

Systemtic Name: 1-methylsulfonyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbohydrazide Openeye Name: 1-methylsulfonyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbohydrazide CAS Name: 1-methylsulfonyl-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-3,4-dihydro-2H-quinoline-6-carbohydrazide IUPAC Name: 1-methylsulfonyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbohydrazide Traditional Name: 1-mesyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbohydrazide Formula: C24H32N5O4S+ MolecularWeight: 486.60698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4S/c1-34(32,33)29-12-5-6-19-18-20(9-10-22(19)29)24(31)26-25-23(30)11-13-27-14-16-28(17-15-27)21-7-3-2-4-8-21/h2-4,7-10,18H,5-6,11-17H2,1H3,(H,25,30)(H,26,31)/p+1