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

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(3,4-dimethoxyanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3,4-dimethoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dimethoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(3,4-dimethoxyanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+])OC

InChI

InChI=1S/C19H21N3O3/c1-24-17-8-7-13(10-18(17)25-2)22-19(23)15(20)9-12-11-21-16-6-4-3-5-14(12)16/h3-8,10-11,15,21H,9,20H2,1-2H3,(H,22,23)/p+1/t15-/m0/s1