6-bromanyl-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-2,4-dihydrochromen-4-ol chloride

Systemtic Name: 6-bromanyl-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-2,4-dihydrochromen-4-ol chloride Openeye Name: 6-bromo-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-chroman-4-ol chloride CAS Name: 6-bromo-3-methyl-2-phenyl-3-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-ol chloride IUPAC Name: 6-bromo-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-2,4-dihydrochromen-4-ol chloride Traditional Name: 6-bromo-3-methyl-2-phenyl-3-piperidin-1-ium-1-yl-chroman-4-ol chloride Formula: C21H25BrClNO2 MolecularWeight: 438.7857

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=C(C=CC(=C2)Br)OC1C3=CC=CC=C3)O)[NH+]4CCCCC4.[Cl-]

Isomeric SMILES

CC1(C(C2=C(C=CC(=C2)Br)OC1C3=CC=CC=C3)O)[NH+]4CCCCC4.[Cl-]

InChI

InChI=1S/C21H24BrNO2.ClH/c1-21(23-12-6-3-7-13-23)19(24)17-14-16(22)10-11-18(17)25-20(21)15-8-4-2-5-9-15;/h2,4-5,8-11,14,19-20,24H,3,6-7,12-13H2,1H3;1H