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

Systemtic Name: 1-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-18-7-9-20(10-8-18)28(14-4-13-25)23(30)17-27-15-11-19(12-16-27)24(31)26-21-5-2-3-6-22(21)29/h2-3,5-10,19,29H,4,11-12,14-17H2,1H3,(H,26,31)/p+1