7-hexyl-2,2-dimethyl-4-(1-phenethylpyridin-1-ium-4-yl)-3,4-dihydrochromen-5-ol bromide

Systemtic Name: 7-hexyl-2,2-dimethyl-4-(1-phenethylpyridin-1-ium-4-yl)-3,4-dihydrochromen-5-ol bromide Openeye Name: 7-hexyl-2,2-dimethyl-4-(1-phenethylpyridin-1-ium-4-yl)chroman-5-ol bromide CAS Name: 7-hexyl-2,2-dimethyl-4-(1-phenethyl-4-pyridin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-5-ol bromide IUPAC Name: 7-hexyl-2,2-dimethyl-4-(1-phenethylpyridin-1-ium-4-yl)-3,4-dihydrochromen-5-ol bromide Traditional Name: 7-hexyl-2,2-dimethyl-4-(1-phenethylpyridin-1-ium-4-yl)chroman-5-ol bromide Formula: C30H38BrNO2 MolecularWeight: 524.53222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C(CC(O2)(C)C)C3=CC=[N+](C=C3)CCC4=CC=CC=C4)C(=C1)O.[Br-]

Isomeric SMILES

CCCCCCC1=CC2=C(C(CC(O2)(C)C)C3=CC=[N+](C=C3)CCC4=CC=CC=C4)C(=C1)O.[Br-]

InChI

InChI=1S/C30H37NO2.BrH/c1-4-5-6-8-13-24-20-27(32)29-26(22-30(2,3)33-28(29)21-24)25-15-18-31(19-16-25)17-14-23-11-9-7-10-12-23;/h7,9-12,15-16,18-21,26H,4-6,8,13-14,17,22H2,1-3H3;1H