methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-(1,2-oxazol-3-ylmethyl)azanium

Systemtic Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: (3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: 3-isoxazolylmethyl-methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CC2=NOC=C2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CC2=NOC=C2

InChI

InChI=1S/C17H28N4O3S/c1-13(2)6-8-21-16(10-18-17(21)25(22,23)14(3)4)12-20(5)11-15-7-9-24-19-15/h7,9-10,13-14H,6,8,11-12H2,1-5H3/p+1