2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5-methyl-2,3-dihydroinden-1-one bromide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5-methyl-2,3-dihydroinden-1-one bromide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5-methyl-indan-1-one bromide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-pyridin-1-iumyl]-5-methyl-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5-methyl-2,3-dihydroinden-1-one bromide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)pyridin-1-ium-1-yl]-5-methyl-indan-1-one bromide Formula: C23H20BrNO3 MolecularWeight: 438.3138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(C2)[N+]3=CC=C(C=C3)C4=C5C(=CC=C4)OCCO5.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(C2)[N+]3=CC=C(C=C3)C4=C5C(=CC=C4)OCCO5.[Br-]

InChI

InChI=1S/C23H20NO3.BrH/c1-15-5-6-18-17(13-15)14-20(22(18)25)24-9-7-16(8-10-24)19-3-2-4-21-23(19)27-12-11-26-21;/h2-10,13,20H,11-12,14H2,1H3;1H/q+1;/p-1