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

Systemtic Name: 1-cyclohexyl-4,5-dimethyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-cyclohexyl-4,5-dimethyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-cyclohexyl-4,5-dimethyl-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-cyclohexyl-4,5-dimethyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-cyclohexyl-4,5-dimethyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C21H33N5S+2 MolecularWeight: 387.58522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4CCCCC4)C

InChI

InChI=1S/C21H31N5S/c1-17-18(2)26(20-6-4-3-5-7-20)21(27)25(17)16-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h8-11,20H,3-7,12-16H2,1-2H3/p+2