2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H28N4O4/c1-24(15-21(28)23-17-4-3-5-20(14-17)30-2)22(29)16-25-10-12-26(13-11-25)18-6-8-19(27)9-7-18/h3-9,14,27H,10-13,15-16H2,1-2H3,(H,23,28)/p+1