[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-cyanoethyl]-methyl-azanium

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-cyanoethyl]-methyl-azanium Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-[(1R)-1-cyanoethyl]-methyl-ammonium CAS Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-cyanoethyl]-methylammonium IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-cyanoethyl]-methylazanium Traditional Name: [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-[(1R)-1-cyanoethyl]-methyl-ammonium Formula: C13H17ClN3O2+ MolecularWeight: 282.74598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2/c1-9(7-15)17(2)8-13(18)16-11-6-10(14)4-5-12(11)19-3/h4-6,9H,8H2,1-3H3,(H,16,18)/p+1/t9-/m1/s1