7-[4-[[4-[(6-chloranyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid chloride

Systemtic Name: 7-[4-[[4-[(6-chloranyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid chloride Openeye Name: 7-[4-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid chloride CAS Name: 7-[4-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid chloride IUPAC Name: 7-[4-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid chloride Traditional Name: 7-[4-[4-[(6-chloro-9H-$b-carbolin-2-ium-2-yl)methyl]benzyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid chloride Formula: C36H32Cl2FN5O3 MolecularWeight: 672.575383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC=C(C=C5)C[N+]6=CC7=C(C=C6)C8=C(N7)C=CC(=C8)Cl)F)C(=O)O.[Cl-]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=CC=C(C=C5)C[N+]6=CC7=C(C=C6)C8=C(N7)C=CC(=C8)Cl)F)C(=O)O.[Cl-]

InChI

InChI=1S/C36H31ClFN5O3.ClH/c37-24-5-8-31-27(15-24)26-9-10-41(21-32(26)39-31)19-23-3-1-22(2-4-23)18-40-11-13-42(14-12-40)34-17-33-28(16-30(34)38)35(44)29(36(45)46)20-43(33)25-6-7-25;/h1-5,8-10,15-17,20-21,25H,6-7,11-14,18-19H2,(H,45,46);1H