[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-cyanoethyl]-methyl-azanium

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-cyanoethyl]-methyl-azanium Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl]-[(1R)-1-cyanoethyl]-methyl-ammonium CAS Name: [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-cyanoethyl]-methylammonium IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-cyanoethyl]-methylazanium Traditional Name: [2-(4-chloroanilino)-2-keto-ethyl]-[(1R)-1-cyanoethyl]-methyl-ammonium Formula: C12H15ClN3O+ MolecularWeight: 252.72

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)[NH+](C)CC(=O)NC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@H](C#N)[NH+](C)CC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H14ClN3O/c1-9(7-14)16(2)8-12(17)15-11-5-3-10(13)4-6-11/h3-6,9H,8H2,1-2H3,(H,15,17)/p+1/t9-/m1/s1