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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCCCC2CO

Isomeric SMILES

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

InChI

InChI=1S/C20H37N3O3S/c1-4-5-12-23-19(15-22-11-7-6-10-18(22)16-24)14-21-20(23)27(25,26)13-8-9-17(2)3/h14,17-18,24H,4-13,15-16H2,1-3H3/p+1/t18-/m0/s1