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

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl]-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-(2-ethylanilino)-2-keto-ethyl]-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N6O2/c1-3-17-7-4-5-8-18(17)24-19(28)15-25(2)16-20(29)26-11-13-27(14-12-26)21-22-9-6-10-23-21/h4-10H,3,11-16H2,1-2H3,(H,24,28)/p+1