N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H20Cl2N5O+ MolecularWeight: 381.2796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N5O/c1-12-3-4-13(18)16(15(12)19)22-14(25)11-23-7-9-24(10-8-23)17-20-5-2-6-21-17/h2-6H,7-11H2,1H3,(H,22,25)/p+1