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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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