6-chloranyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-4-phenyl-carbostyril Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O2S/c1-25-9-11-26(12-10-25)19(27)14-29-21-20(15-5-3-2-4-6-15)17-13-16(23)7-8-18(17)24-22(21)28/h2-8,13H,9-12,14H2,1H3,(H,24,28)/p+1