ethyl 1-methyl-4-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-methyl-4-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-benzyl-1-methyl-4-phenyl-piperidin-1-ium-4-carboxylate bromide CAS Name: 1-methyl-4-phenyl-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-benzyl-1-methyl-4-phenylpiperidin-1-ium-4-carboxylate bromide Traditional Name: 1-benzyl-1-methyl-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C22H28BrNO2 MolecularWeight: 418.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[N+](CC1)(C)CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C1(CC[N+](CC1)(C)CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H28NO2.BrH/c1-3-25-21(24)22(20-12-8-5-9-13-20)14-16-23(2,17-15-22)18-19-10-6-4-7-11-19;/h4-13H,3,14-18H2,1-2H3;1H/q+1;/p-1