7-chloranyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

Systemtic Name: 7-chloranyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one Openeye Name: 7-chloro-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-(2-pyridylmethyl)quinolin-2-one CAS Name: 7-chloro-3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-(2-pyridinylmethyl)-2-quinolinone IUPAC Name: 7-chloro-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one Traditional Name: 7-chloro-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1-(2-pyridylmethyl)carbostyril Formula: C28H30ClN4O2+ MolecularWeight: 490.0164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)Cl)N(C3=O)CC5=CC=CC=N5

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)Cl)N(C3=O)CC5=CC=CC=N5

InChI

InChI=1S/C28H29ClN4O2/c1-2-35-27-9-4-3-8-25(27)32-15-13-31(14-16-32)19-22-17-21-10-11-23(29)18-26(21)33(28(22)34)20-24-7-5-6-12-30-24/h3-12,17-18H,2,13-16,19-20H2,1H3/p+1