2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: homoveratryl-[(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl]-methyl-ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O4/c1-15(21(24)22-17-8-6-7-9-18(17)25-3)23(2)13-12-16-10-11-19(26-4)20(14-16)27-5/h6-11,14-15H,12-13H2,1-5H3,(H,22,24)/p+1/t15-/m1/s1