[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-azanium

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methylammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methylazanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium Formula: C20H38N3O4S+ MolecularWeight: 416.59842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2COCCO2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)C[C@H]2COCCO2

InChI

InChI=1S/C20H37N3O4S/c1-5-6-9-23-18(14-22(4)15-19-16-26-10-11-27-19)13-21-20(23)28(24,25)12-7-8-17(2)3/h13,17,19H,5-12,14-16H2,1-4H3/p+1/t19-/m0/s1