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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-(2-methyl-1H-indol-3-yl)-2-oxidanyl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]azanium Traditional Name: homoveratryl-[(2R)-2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C21H26N2O3/c1-14-21(16-6-4-5-7-17(16)23-14)18(24)13-22-11-10-15-8-9-19(25-2)20(12-15)26-3/h4-9,12,18,22-24H,10-11,13H2,1-3H3/p+1/t18-/m0/s1