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

Systemtic Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C14H21N5S+2 MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H19N5S/c1-16-6-9-19(14(16)20)12-17-7-10-18(11-8-17)13-4-2-3-5-15-13/h2-6,9H,7-8,10-12H2,1H3/p+2