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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H28N4O3/c1-17-7-9-18(10-8-17)23-21(28)15-24(2)22(29)16-25-11-13-26(14-12-25)19-5-3-4-6-20(19)27/h3-10,27H,11-16H2,1-2H3,(H,23,28)/p+1