1-(4-pyrrolidin-1-ylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(4-pyrrolidin-1-ylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(4-pyrrolidin-1-ylphenyl)-2-quinolin-1-ium-1-yl-ethanone bromide CAS Name: 1-[4-(1-pyrrolidinyl)phenyl]-2-(1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-pyrrolidin-1-ylphenyl)-2-quinolin-1-ium-1-ylethanone bromide Traditional Name: 1-(4-pyrrolidinophenyl)-2-quinolin-1-ium-1-yl-ethanone bromide Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C21H21N2O.BrH/c24-21(16-23-15-5-7-17-6-1-2-8-20(17)23)18-9-11-19(12-10-18)22-13-3-4-14-22;/h1-2,5-12,15H,3-4,13-14,16H2;1H/q+1;/p-1