N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-(phenylmethyl)aniline bromide

Systemtic Name: N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-(phenylmethyl)aniline bromide Openeye Name: N-benzyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide CAS Name: N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-N-(phenylmethyl)aniline bromide IUPAC Name: N-benzyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide Traditional Name: benzyl-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-phenyl-amine bromide Formula: C21H29BrN2 MolecularWeight: 389.37236

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H29N2.BrH/c1-23(16-9-4-10-17-23)18-15-22(21-13-7-3-8-14-21)19-20-11-5-2-6-12-20;/h2-3,5-8,11-14H,4,9-10,15-19H2,1H3;1H/q+1;/p-1