7-chloranyl-1-(2-phenoxyethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one

Systemtic Name: 7-chloranyl-1-(2-phenoxyethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Openeye Name: 7-chloro-1-(2-phenoxyethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one CAS Name: 7-chloro-1-(2-phenoxyethyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-quinolinone IUPAC Name: 7-chloro-1-(2-phenoxyethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Traditional Name: 7-chloro-1-(2-phenoxyethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]carbostyril Formula: C27H29ClN4O2+2 MolecularWeight: 476.99776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CCOC4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CCOC4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H27ClN4O2/c28-23-10-9-21-18-22(20-30-12-14-31(15-13-30)26-8-4-5-11-29-26)27(33)32(25(21)19-23)16-17-34-24-6-2-1-3-7-24/h1-11,18-19H,12-17,20H2/p+2