2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-1-[4-(6-methylpyridin-1-ium-2-yl)piperazino]ethanone Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C16H21N5OS/c1-13-4-3-5-14(18-13)20-8-10-21(11-9-20)15(22)12-23-16-17-6-7-19(16)2/h3-7H,8-12H2,1-2H3/p+1