[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(2-ethyl-6-methyl-anilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(2-ethyl-6-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-ethyl-6-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(2-ethyl-6-methyl-anilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+])C

InChI

InChI=1S/C20H23N3O/c1-3-14-8-6-7-13(2)19(14)23-20(24)17(21)11-15-12-22-18-10-5-4-9-16(15)18/h4-10,12,17,22H,3,11,21H2,1-2H3,(H,23,24)/p+1/t17-/m0/s1