(4-cyanophenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-cyanophenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-cyanophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-cyanophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-cyanophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: (4-cyanobenzyl)-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C21H25N3O3/c1-4-26-19-11-10-18(12-20(19)27-5-2)23-21(25)15-24(3)14-17-8-6-16(13-22)7-9-17/h6-12H,4-5,14-15H2,1-3H3,(H,23,25)/p+1