2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: homoveratryl-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]-methyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-15-22(18-8-6-7-9-19(18)24-15)23(26)16(2)25(3)13-12-17-10-11-20(27-4)21(14-17)28-5/h6-11,14,16,24H,12-13H2,1-5H3/p+1/t16-/m0/s1