dodecane-1-sulfonate; (2R)-2-isoquinolin-2-ium-2-yl-2-phenyl-ethanol

Systemtic Name: dodecane-1-sulfonate; (2R)-2-isoquinolin-2-ium-2-yl-2-phenyl-ethanol Openeye Name: dodecane-1-sulfonate; (2R)-2-isoquinolin-2-ium-2-yl-2-phenyl-ethanol CAS Name: 1-dodecanesulfonate; (2R)-2-(2-isoquinolin-2-iumyl)-2-phenylethanol IUPAC Name: dodecane-1-sulfonate; (2R)-2-isoquinolin-2-ium-2-yl-2-phenylethanol Traditional Name: dodecane-1-sulfonate; (2R)-2-isoquinolin-2-ium-2-yl-2-phenyl-ethanol Formula: C29H41NO4S MolecularWeight: 499.70514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C(CO)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)[C@H](CO)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H16NO.C12H26O3S/c19-13-17(15-7-2-1-3-8-15)18-11-10-14-6-4-5-9-16(14)12-18;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h1-12,17,19H,13H2;2-12H2,1H3,(H,13,14,15)/q+1;/p-1/t17-;/m0./s1