1-(3-chloranyl-2-methyl-phenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C19H22ClN6S+ MolecularWeight: 401.93618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21ClN6S/c1-15-16(20)4-2-5-17(15)26-13-12-25(19(26)27)14-23-8-10-24(11-9-23)18-21-6-3-7-22-18/h2-7,12-13H,8-11,14H2,1H3/p+1