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

Systemtic Name: (1R)-1-[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol Openeye Name: (1R)-1-[1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-ol CAS Name: (1R)-1-[1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-4-piperidin-1-iumyl]-1-propanol IUPAC Name: (1R)-1-[1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol Traditional Name: (1R)-1-[1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-ol Formula: C22H42N3O3S+ MolecularWeight: 428.65218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N3O3S/c1-5-7-12-25-20(17-24-13-10-19(11-14-24)21(26)6-2)16-23-22(25)29(27,28)15-8-9-18(3)4/h16,18-19,21,26H,5-15,17H2,1-4H3/p+1/t21-/m1/s1