[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(6,8-dimethyl-2-pyridin-2-yl-quinolin-4-yl)methanone

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(6,8-dimethyl-2-pyridin-2-yl-quinolin-4-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-[6,8-dimethyl-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-[6,8-dimethyl-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-[6,8-dimethyl-2-(2-pyridyl)-4-quinolyl]methanone Formula: C28H28ClN4O+ MolecularWeight: 472.00112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5Cl)C

InChI

InChI=1S/C28H27ClN4O/c1-19-15-20(2)27-22(16-19)23(17-26(31-27)25-9-5-6-10-30-25)28(34)33-13-11-32(12-14-33)18-21-7-3-4-8-24(21)29/h3-10,15-17H,11-14,18H2,1-2H3/p+1