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

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N6O2+ MolecularWeight: 383.46738

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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=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H26N6O2/c1-16-4-6-17(7-5-16)23-18(27)14-24(2)19(28)15-25-10-12-26(13-11-25)20-21-8-3-9-22-20/h3-9H,10-15H2,1-2H3,(H,23,27)/p+1