[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C21H40N3O3S+ MolecularWeight: 414.6256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2CCOCC2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2CCOCC2

InChI

InChI=1S/C21H39N3O3S/c1-5-6-11-24-20(17-23(4)16-19-9-12-27-13-10-19)15-22-21(24)28(25,26)14-7-8-18(2)3/h15,18-19H,5-14,16-17H2,1-4H3/p+1