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

Systemtic Name: [(2S)-1-[ethyl-(3-methylphenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(N-ethyl-3-methyl-anilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(N-ethyl-3-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(N-ethyl-3-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(N-ethyl-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O/c1-3-23(16-8-6-7-14(2)11-16)20(24)18(21)12-15-13-22-19-10-5-4-9-17(15)19/h4-11,13,18,22H,3,12,21H2,1-2H3/p+1/t18-/m0/s1