[4-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethoxy]carbonylphenyl]methyl-diethyl-azanium

Systemtic Name: [4-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethoxy]carbonylphenyl]methyl-diethyl-azanium Openeye Name: [4-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethoxy]carbonylphenyl]methyl-diethyl-ammonium CAS Name: [4-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethoxy]-oxomethyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethoxy]carbonylphenyl]methyl-diethylazanium Traditional Name: [4-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethoxy]carbonylbenzyl]-diethyl-ammonium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-4-27(5-2)18-20-8-10-21(11-9-20)25(30)32-19-24(29)28(17-7-16-26)22-12-14-23(15-13-22)31-6-3/h8-15H,4-7,17-19H2,1-3H3/p+1