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

Systemtic Name: 4,5-dimethyl-1-(2-methylpropyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-isobutyl-4,5-dimethyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 4,5-dimethyl-1-(2-methylpropyl)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 4,5-dimethyl-1-(2-methylpropyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-isobutyl-4,5-dimethyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C19H31N5S+2 MolecularWeight: 361.54794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1CC(C)C)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CC1=C(N(C(=S)N1CC(C)C)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

InChI=1S/C19H29N5S/c1-15(2)13-23-16(3)17(4)24(19(23)25)14-21-9-11-22(12-10-21)18-5-7-20-8-6-18/h5-8,15H,9-14H2,1-4H3/p+2