1-(2,5-dimethylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(2,5-dimethylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(2,5-dimethylphenyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(2,5-dimethylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C21H27N5S+2 MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N5S/c1-17-6-7-18(2)19(15-17)26-14-13-25(21(26)27)16-23-9-11-24(12-10-23)20-5-3-4-8-22-20/h3-8,13-15H,9-12,16H2,1-2H3/p+2