5-chloranyl-7-[(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[p-tolyl-[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(4-methylphenyl)-[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[p-tolyl-[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]quinolin-8-ol Formula: C26H26ClN4O+ MolecularWeight: 445.96384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)[NH+]4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H25ClN4O/c1-18-7-9-19(10-8-18)25(21-17-22(27)20-5-4-12-29-24(20)26(21)32)31-15-13-30(14-16-31)23-6-2-3-11-28-23/h2-12,17,25,32H,13-16H2,1H3/p+1