2-(3,4-dimethoxyphenyl)ethyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: homoveratryl-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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