[(2S)-1-[(3,5-dimethylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3,5-dimethylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(3,5-dimethylanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3,5-dimethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,5-dimethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(3,5-dimethylanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C19H22N3O+ MolecularWeight: 308.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+])C

InChI

InChI=1S/C19H21N3O/c1-12-7-13(2)9-15(8-12)22-19(23)17(20)10-14-11-21-18-6-4-3-5-16(14)18/h3-9,11,17,21H,10,20H2,1-2H3,(H,22,23)/p+1/t17-/m0/s1