N-[(4-dimethylaminophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H27N6O+ MolecularWeight: 355.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O/c1-23(2)17-6-4-16(5-7-17)14-22-18(26)15-24-10-12-25(13-11-24)19-20-8-3-9-21-19/h3-9H,10-15H2,1-2H3,(H,22,26)/p+1