[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium

Systemtic Name: [2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]ammonium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2/c1-30-23-16-9-8-15-22(23)28(18-10-17-26)24(29)19-27-25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-16,25,27H,10,18-19H2,1H3/p+1