[(2S)-1-[(2,6-diethylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2,6-diethylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(2,6-diethylanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(2,6-diethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(2,6-diethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(2,6-diethylanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C21H25N3O/c1-3-14-8-7-9-15(4-2)20(14)24-21(25)18(22)12-16-13-23-19-11-6-5-10-17(16)19/h5-11,13,18,23H,3-4,12,22H2,1-2H3,(H,24,25)/p+1/t18-/m0/s1