2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2-isopropylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium Traditional Name: homoveratryl-[2-(2-isopropylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-16(2)18-8-6-7-9-19(18)23-22(25)15-24(3)13-12-17-10-11-20(26-4)21(14-17)27-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,23,25)/p+1