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

Systemtic Name: [(2S)-1-[(4-tert-butylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(4-tert-butylanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-tert-butylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-tert-butylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(4-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=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O/c1-21(2,3)15-8-10-16(11-9-15)24-20(25)18(22)12-14-13-23-19-7-5-4-6-17(14)19/h4-11,13,18,23H,12,22H2,1-3H3,(H,24,25)/p+1/t18-/m0/s1