7-hexyl-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-yl]-3,4-dihydrochromen-5-ol bromide

Systemtic Name: 7-hexyl-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-yl]-3,4-dihydrochromen-5-ol bromide Openeye Name: 7-hexyl-2,2-dimethyl-4-[1-(2-naphthylmethyl)pyridin-1-ium-4-yl]chroman-5-ol bromide CAS Name: 7-hexyl-2,2-dimethyl-4-[1-(2-naphthalenylmethyl)-4-pyridin-1-iumyl]-3,4-dihydro-2H-1-benzopyran-5-ol bromide IUPAC Name: 7-hexyl-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-yl]-3,4-dihydrochromen-5-ol bromide Traditional Name: 7-hexyl-2,2-dimethyl-4-[1-(2-naphthylmethyl)pyridin-1-ium-4-yl]chroman-5-ol bromide Formula: C33H38BrNO2 MolecularWeight: 560.56432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C(CC(O2)(C)C)C3=CC=[N+](C=C3)CC4=CC5=CC=CC=C5C=C4)C(=C1)O.[Br-]

Isomeric SMILES

CCCCCCC1=CC2=C(C(CC(O2)(C)C)C3=CC=[N+](C=C3)CC4=CC5=CC=CC=C5C=C4)C(=C1)O.[Br-]

InChI

InChI=1S/C33H37NO2.BrH/c1-4-5-6-7-10-24-20-30(35)32-29(22-33(2,3)36-31(32)21-24)27-15-17-34(18-16-27)23-25-13-14-26-11-8-9-12-28(26)19-25;/h8-9,11-21,29H,4-7,10,22-23H2,1-3H3;1H