2-(4-chloranyl-3-methyl-phenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-(4-chloranyl-3-methyl-phenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-(4-chloro-3-methyl-phenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-(4-chloro-3-methylphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-(4-chloro-3-methylphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-amine Traditional Name: [2-(4-chloro-3-methyl-phenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrazol-2-ium-3-yl]amine Formula: C14H17ClN5+ MolecularWeight: 290.77128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+]2=C(C(=CN2)C3=NCCCN3)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+]2=C(C(=CN2)C3=NCCCN3)N)Cl

InChI

InChI=1S/C14H16ClN5/c1-9-7-10(3-4-12(9)15)20-13(16)11(8-19-20)14-17-5-2-6-18-14/h3-4,7-8H,2,5-6H2,1H3,(H3,16,17,18,19)/p+1