2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 2,2-dipropyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C18H24BrN MolecularWeight: 334.29386

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC2=CC3=CC=CC=C3C=C2C1)CCC.[Br-]

Isomeric SMILES

CCC[N+]1(CC2=CC3=CC=CC=C3C=C2C1)CCC.[Br-]

InChI

InChI=1S/C18H24N.BrH/c1-3-9-19(10-4-2)13-17-11-15-7-5-6-8-16(15)12-18(17)14-19;/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3;1H/q+1;/p-1