2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C22H30N2O3/c1-6-18-9-7-8-16(2)22(18)23-21(25)15-24(3)13-12-17-10-11-19(26-4)20(14-17)27-5/h7-11,14H,6,12-13,15H2,1-5H3,(H,23,25)/p+1