9,9-diethyl-7-methyl-7,7a,8,10-tetrahydronaphtho[1,2-f]isoindol-9-ium bromide

Systemtic Name: 9,9-diethyl-7-methyl-7,7a,8,10-tetrahydronaphtho[1,2-f]isoindol-9-ium bromide Openeye Name: 9,9-diethyl-7-methyl-7,7a,8,10-tetrahydronaphtho[1,2-f]isoindol-9-ium bromide CAS Name: 9,9-diethyl-7-methyl-7,7a,8,10-tetrahydronaphtho[1,2-f]isoindol-9-ium bromide IUPAC Name: 9,9-diethyl-7-methyl-7,7a,8,10-tetrahydronaphtho[1,2-f]isoindol-9-ium bromide Traditional Name: 9,9-diethyl-7-methyl-7,7a,8,10-tetrahydronaphth[1,2-f]isoindol-9-ium bromide Formula: C21H26BrN MolecularWeight: 372.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2C(C3=C(C=C2C1)C4=CC=CC=C4C=C3)C)CC.[Br-]

Isomeric SMILES

CC[N+]1(CC2C(C3=C(C=C2C1)C4=CC=CC=C4C=C3)C)CC.[Br-]

InChI

InChI=1S/C21H26N.BrH/c1-4-22(5-2)13-17-12-20-18(15(3)21(17)14-22)11-10-16-8-6-7-9-19(16)20;/h6-12,15,21H,4-5,13-14H2,1-3H3;1H/q+1;/p-1