(1R)-2,2-dibutyl-5-(quinolin-1-ium-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol chloride

Systemtic Name: (1R)-2,2-dibutyl-5-(quinolin-1-ium-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol chloride Openeye Name: (1R)-2,2-dibutyl-5-(quinolin-1-ium-2-ylmethoxy)tetralin-1-ol chloride CAS Name: (1R)-2,2-dibutyl-5-(2-quinolin-1-iumylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol chloride IUPAC Name: (1R)-2,2-dibutyl-5-(quinolin-1-ium-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol chloride Traditional Name: (1R)-2,2-dibutyl-5-(quinolin-1-ium-2-ylmethoxy)tetralin-1-ol chloride Formula: C28H36ClNO2 MolecularWeight: 454.04394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC2=C(C1O)C=CC=C2OCC3=[NH+]C4=CC=CC=C4C=C3)CCCC.[Cl-]

Isomeric SMILES

CCCCC1(CCC2=C([C@@H]1O)C=CC=C2OCC3=[NH+]C4=CC=CC=C4C=C3)CCCC.[Cl-]

InChI

InChI=1S/C28H35NO2.ClH/c1-3-5-17-28(18-6-4-2)19-16-23-24(27(28)30)11-9-13-26(23)31-20-22-15-14-21-10-7-8-12-25(21)29-22;/h7-15,27,30H,3-6,16-20H2,1-2H3;1H/t27-;/m0./s1