[6-methyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [6-methyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [6-methyl-1-(o-tolylmethyl)-2-oxo-3-quinolyl]methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [6-methyl-1-[(2-methylphenyl)methyl]-2-oxo-3-quinolinyl]methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [6-methyl-1-[(2-methylphenyl)methyl]-2-oxoquinolin-3-yl]methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [2-keto-6-methyl-1-(2-methylbenzyl)-3-quinolyl]methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCC3=CC=CC=N3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCC3=CC=CC=N3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H27N3O/c1-19-10-11-25-22(15-19)16-23(17-27-14-12-24-9-5-6-13-28-24)26(30)29(25)18-21-8-4-3-7-20(21)2/h3-11,13,15-16,27H,12,14,17-18H2,1-2H3/p+1