2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: homoveratryl-[(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]ammonium Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+][C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C25H28N2O4/c1-29-21-11-7-10-20(17-21)27-25(28)24(19-8-5-4-6-9-19)26-15-14-18-12-13-22(30-2)23(16-18)31-3/h4-13,16-17,24,26H,14-15H2,1-3H3,(H,27,28)/p+1/t24-/m0/s1