[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O4/c1-5-12-27-18-9-6-16(7-10-18)14-23(2)15-21(24)22-17-8-11-19(25-3)20(13-17)26-4/h5-11,13H,1,12,14-15H2,2-4H3,(H,22,24)/p+1