2-(3,4-dimethoxyphenyl)ethyl-[(1R)-3-oxidanylidene-2-[(1R)-1-phenylethyl]-1H-isoindol-1-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-3-oxidanylidene-2-[(1R)-1-phenylethyl]-1H-isoindol-1-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-3-oxo-2-[(1R)-1-phenylethyl]isoindolin-1-yl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindol-1-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindol-1-yl]azanium Traditional Name: homoveratryl-[(1R)-3-keto-2-[(1R)-1-phenylethyl]isoindolin-1-yl]ammonium Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)[NH2+]CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2[C@H](C3=CC=CC=C3C2=O)[NH2+]CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N2O3/c1-18(20-9-5-4-6-10-20)28-25(21-11-7-8-12-22(21)26(28)29)27-16-15-19-13-14-23(30-2)24(17-19)31-3/h4-14,17-18,25,27H,15-16H2,1-3H3/p+1/t18-,25-/m1/s1