[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [6,7-dimethoxy-2-oxo-1-(p-tolylmethyl)-3-quinolyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxo-3-quinolinyl]methyl-methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxoquinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [2-keto-6,7-dimethoxy-1-(4-methylbenzyl)-3-quinolyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3C=C(C2=O)C[NH+](C)CCN4C=CC=N4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC(=C(C=C3C=C(C2=O)C[NH+](C)CCN4C=CC=N4)OC)OC

InChI

InChI=1S/C26H30N4O3/c1-19-6-8-20(9-7-19)17-30-23-16-25(33-4)24(32-3)15-21(23)14-22(26(30)31)18-28(2)12-13-29-11-5-10-27-29/h5-11,14-16H,12-13,17-18H2,1-4H3/p+1