(2R)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-2-phenyl-ethanol; dodecyl sulfate

Systemtic Name: (2R)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-2-phenyl-ethanol; dodecyl sulfate Openeye Name: (2R)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-2-phenyl-ethanol; dodecyl sulfate CAS Name: (2R)-2-(6,7-dimethoxy-2-isoquinolin-2-iumyl)-2-phenylethanol; dodecyl sulfate IUPAC Name: (2R)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-2-phenylethanol; dodecyl sulfate Traditional Name: (2R)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-2-phenyl-ethanol; lauryl sulfate Formula: C31H45NO7S MolecularWeight: 575.7565

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)[O-].COC1=C(C=C2C=[N+](C=CC2=C1)C(CO)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)[O-].COC1=C(C=C2C=[N+](C=CC2=C1)[C@@H](CO)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H20NO3.C12H26O4S/c1-22-18-10-15-8-9-20(12-16(15)11-19(18)23-2)17(13-21)14-6-4-3-5-7-14;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-12,17,21H,13H2,1-2H3;2-12H2,1H3,(H,13,14,15)/q+1;/p-1/t17-;/m0./s1