N-(3-chloranyl-2-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21ClN5O+ MolecularWeight: 346.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20ClN5O/c1-13-14(18)4-2-5-15(13)21-16(24)12-22-8-10-23(11-9-22)17-19-6-3-7-20-17/h2-7H,8-12H2,1H3,(H,21,24)/p+1