[3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indol-5-yl] ethanoate bromide

Systemtic Name: [3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indol-5-yl] ethanoate bromide Openeye Name: [3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indol-5-yl] acetate bromide CAS Name: acetic acid [3-[4-(4-phenyl-1-pyridin-1-iumyl)butyl]-1H-indol-5-yl] ester bromide IUPAC Name: [3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indol-5-yl] acetate bromide Traditional Name: acetic acid [3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indol-5-yl] ester bromide Formula: C25H25BrN2O2 MolecularWeight: 465.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)NC=C2CCCC[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)NC=C2CCCC[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H25N2O2.BrH/c1-19(28)29-23-10-11-25-24(17-23)22(18-26-25)9-5-6-14-27-15-12-21(13-16-27)20-7-3-2-4-8-20;/h2-4,7-8,10-13,15-18,26H,5-6,9,14H2,1H3;1H/q+1;/p-1