3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-2-yl]-1H-indole bromide

Systemtic Name: 3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-2-yl]-1H-indole bromide Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-2-yl)-1H-indole bromide CAS Name: 3-[1-methyl-1-(phenylmethyl)-2-piperidin-1-iumyl]-1H-indole bromide IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-2-yl)-1H-indole bromide Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-2-yl)-1H-indole bromide Formula: C21H25BrN2 MolecularWeight: 385.3406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H25N2.BrH/c1-23(16-17-9-3-2-4-10-17)14-8-7-13-21(23)19-15-22-20-12-6-5-11-18(19)20;/h2-6,9-12,15,21-22H,7-8,13-14,16H2,1H3;1H/q+1;/p-1