N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H26N4O3/c1-29-21-6-3-2-5-20(21)26(12-4-11-23)22(28)17-24-13-15-25(16-14-24)18-7-9-19(27)10-8-18/h2-3,5-10,27H,4,12-17H2,1H3/p+1