methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-[2-(1H-pyrazol-4-yl)ethyl]azanium

Systemtic Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-[2-(1H-pyrazol-4-yl)ethyl]azanium Openeye Name: (3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium CAS Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-[2-(1H-pyrazol-4-yl)ethyl]ammonium IUPAC Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-[2-(1H-pyrazol-4-yl)ethyl]azanium Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium Formula: C18H32N5O2S+ MolecularWeight: 382.54398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CCC2=CNN=C2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CCC2=CNN=C2

InChI

InChI=1S/C18H31N5O2S/c1-14(2)6-9-23-17(12-19-18(23)26(24,25)15(3)4)13-22(5)8-7-16-10-20-21-11-16/h10-12,14-15H,6-9,13H2,1-5H3,(H,20,21)/p+1