2-[2,3-bis(oxidanyl)propyl]-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol Openeye Name: 2-(2,3-dihydroxypropyl)-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol CAS Name: 2-(2,3-dihydroxypropyl)-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol IUPAC Name: 2-(2,3-dihydroxypropyl)-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol Traditional Name: 2-glyceryl-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2CCN1CC(CO)O)O)O)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2CCN1CC(CO)O)O)O)C

InChI

InChI=1S/C14H21NO4/c1-14(2)11-6-13(19)12(18)5-9(11)3-4-15(14)7-10(17)8-16/h5-6,10,16-19H,3-4,7-8H2,1-2H3