[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2/c1-3-10-26-18-8-4-15(5-9-18)13-24(2)14-20(25)23-19-11-17(21)7-6-16(19)12-22/h3-9,11H,1,10,13-14H2,2H3,(H,23,25)/p+1