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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]-methyl-ammonium Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N(CCC#N)C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N(CCC#N)C2=CC=CC=C2OC

InChI

InChI=1S/C21H24ClN3O3/c1-24(14-16-13-17(22)9-10-19(16)27-2)15-21(26)25(12-6-11-23)18-7-4-5-8-20(18)28-3/h4-5,7-10,13H,6,12,14-15H2,1-3H3/p+1