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

Systemtic Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-ol Formula: C19H36N3O3S+ MolecularWeight: 386.57244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCCC(C2)O

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC[C@@H](C2)O

InChI

InChI=1S/C19H35N3O3S/c1-4-5-11-22-17(14-21-10-6-9-18(23)15-21)13-20-19(22)26(24,25)12-7-8-16(2)3/h13,16,18,23H,4-12,14-15H2,1-3H3/p+1/t18-/m0/s1