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

Systemtic Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C20H40N4O3S+2 MolecularWeight: 416.6216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CCC[NH+]2CCOCC2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CCC[NH+]2CCOCC2

InChI

InChI=1S/C20H38N4O3S/c1-17(2)7-10-24-19(15-21-20(24)28(25,26)18(3)4)16-22(5)8-6-9-23-11-13-27-14-12-23/h15,17-18H,6-14,16H2,1-5H3/p+2