[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C18H19ClN3O2+ MolecularWeight: 344.81536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-22(9-10-24-16-5-3-2-4-6-16)13-18(23)21-15-8-7-14(12-20)17(19)11-15/h2-8,11H,9-10,13H2,1H3,(H,21,23)/p+1