1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(6-methyl-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C19H31N5O2S+2 MolecularWeight: 393.54674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C19H29N5O2S/c1-15(2)13-24-17(12-20-19(24)27(4,25)26)14-22-8-10-23(11-9-22)18-7-5-6-16(3)21-18/h5-7,12,15H,8-11,13-14H2,1-4H3/p+2