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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: homoveratryl-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5/c1-16(2)30-23(27)18-7-9-19(10-8-18)24-22(26)15-25(3)13-12-17-6-11-20(28-4)21(14-17)29-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,26)/p+1