6-chloranyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-phenyl-carbostyril Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2/c22-16-6-7-18-17(14-16)19(15-4-2-1-3-5-15)20(21(27)23-18)25-10-8-24(9-11-25)12-13-26/h1-7,14,26H,8-13H2,(H,23,27)/p+1