3,3-dimethyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 3,3-dimethyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 3,3-dimethyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 3,3-dimethyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C18H33N4O3S+ MolecularWeight: 385.54462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCNC(=O)C2(C)C

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCNC(=O)C2(C)C

InChI

InChI=1S/C18H32N4O3S/c1-13(2)7-9-22-15(11-20-17(22)26(24,25)14(3)4)12-21-10-8-19-16(23)18(21,5)6/h11,13-14H,7-10,12H2,1-6H3,(H,19,23)/p+1