methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C19H38N4O2S+2 MolecularWeight: 386.59562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)C2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)C2CC[NH+](CC2)C

InChI

InChI=1S/C19H36N4O2S/c1-15(2)7-12-23-18(13-20-19(23)26(24,25)16(3)4)14-22(6)17-8-10-21(5)11-9-17/h13,15-17H,7-12,14H2,1-6H3/p+2