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

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

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