2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]thio]cinchoninamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N

InChI

InChI=1S/C24H26N4O3S/c25-24(30)20-16-22(26-21-9-5-4-8-19(20)21)32-17-23(29)28-12-10-27(11-13-28)14-15-31-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H2,25,30)/p+1