[(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(5-chloro-2-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O/c1-11-6-7-13(19)9-17(11)22-18(23)15(20)8-12-10-21-16-5-3-2-4-14(12)16/h2-7,9-10,15,21H,8,20H2,1H3,(H,22,23)/p+1/t15-/m0/s1