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

Systemtic Name: 3-[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Openeye Name: 3-[(2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]propan-1-ol CAS Name: 3-[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(2S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Traditional Name: 3-[(2S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-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+]2CCCCC2CCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H41N3O3S/c1-4-5-14-25-21(18-24-13-7-6-11-20(24)12-8-15-26)17-23-22(25)29(27,28)16-9-10-19(2)3/h17,19-20,26H,4-16,18H2,1-3H3/p+1/t20-/m0/s1