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

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H24BrN6O2+ MolecularWeight: 448.33686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H23BrN6O2/c1-24(13-17(27)23-16-6-3-2-5-15(16)20)18(28)14-25-9-11-26(12-10-25)19-21-7-4-8-22-19/h2-8H,9-14H2,1H3,(H,23,27)/p+1