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

Systemtic Name: N-cyclopropyl-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C20H28N4O4S/c1-29(27,28)24-8-2-3-15-13-16(4-7-18(15)24)20(26)23-11-9-22(10-12-23)14-19(25)21-17-5-6-17/h4,7,13,17H,2-3,5-6,8-12,14H2,1H3,(H,21,25)/p+1