[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H26N4O/c1-20-6-2-3-7-22(20)19-30-14-16-31(17-15-30)27(32)24-18-26(21-10-12-28-13-11-21)29-25-9-5-4-8-23(24)25/h2-13,18H,14-17,19H2,1H3/p+1