3-imidazol-1-ylpropyl-[[6-methyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[6-methyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[[6-methyl-1-(o-tolylmethyl)-2-oxo-3-quinolyl]methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[[6-methyl-1-[(2-methylphenyl)methyl]-2-oxo-3-quinolinyl]methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[[6-methyl-1-[(2-methylphenyl)methyl]-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[[2-keto-6-methyl-1-(2-methylbenzyl)-3-quinolyl]methyl]ammonium Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCCN3C=CN=C3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCCN3C=CN=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H28N4O/c1-19-8-9-24-22(14-19)15-23(16-26-10-5-12-28-13-11-27-18-28)25(30)29(24)17-21-7-4-3-6-20(21)2/h3-4,6-9,11,13-15,18,26H,5,10,12,16-17H2,1-2H3/p+1