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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H18ClN3O/c1-13-3-5-14(6-4-13)11-22(2)12-18(23)21-16-8-7-15(10-20)17(19)9-16/h3-9H,11-12H2,1-2H3,(H,21,23)/p+1