2-(3,4-dimethoxyphenyl)ethyl-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3,5-dimethylanilino)-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H28N2O3/c1-15-10-16(2)12-18(11-15)22-21(24)14-23(3)9-8-17-6-7-19(25-4)20(13-17)26-5/h6-7,10-13H,8-9,14H2,1-5H3,(H,22,24)/p+1