[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]methanol Formula: C20H38N3O3S+ MolecularWeight: 400.59902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC(CC2)CO

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC(CC2)CO

InChI

InChI=1S/C20H37N3O3S/c1-4-5-10-23-19(15-22-11-8-18(16-24)9-12-22)14-21-20(23)27(25,26)13-6-7-17(2)3/h14,17-18,24H,4-13,15-16H2,1-3H3/p+1