[(2S)-1-[(2-tert-butylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C21H25N3O/c1-21(2,3)16-9-5-7-11-19(16)24-20(25)17(22)12-14-13-23-18-10-6-4-8-15(14)18/h4-11,13,17,23H,12,22H2,1-3H3,(H,24,25)/p+1/t17-/m0/s1