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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium Traditional Name: homoveratryl-[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]ammonium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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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)C3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+][C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C26H26N2O3/c1-30-23-13-12-18(16-24(23)31-2)14-15-27-25(19-8-4-3-5-9-19)26(29)21-17-28-22-11-7-6-10-20(21)22/h3-13,16-17,25,27-28H,14-15H2,1-2H3/p+1/t25-/m1/s1