N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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