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

Systemtic Name: 2-[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]ethanol 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+]2CCCCC2CCO

Isomeric SMILES

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

InChI

InChI=1S/C21H39N3O3S/c1-4-5-13-24-20(17-23-12-7-6-10-19(23)11-14-25)16-22-21(24)28(26,27)15-8-9-18(2)3/h16,18-19,25H,4-15,17H2,1-3H3/p+1/t19-/m0/s1