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

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H26N6O2/c1-16-4-6-17(7-5-16)23-18(27)14-24(2)15-19(28)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