1-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[N-(2-cyanoethyl)-3,4-dimethyl-anilino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[N-(2-cyanoethyl)-3,4-dimethyl-anilino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

InChI

InChI=1S/C25H30N4O3/c1-18-8-9-21(16-19(18)2)29(13-5-12-26)24(31)17-28-14-10-20(11-15-28)25(32)27-22-6-3-4-7-23(22)30/h3-4,6-9,16,20,30H,5,10-11,13-15,17H2,1-2H3,(H,27,32)/p+1