2-(3,4-dimethoxyphenyl)ethyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: homoveratryl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)C[NH2+]CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H26N2O3/c1-14-9-15(2)18-12-17(22(25)24-19(18)10-14)13-23-8-7-16-5-6-20(26-3)21(11-16)27-4/h5-6,9-12,23H,7-8,13H2,1-4H3,(H,24,25)/p+1