1-(3,3-diphenylpropyl)-1-methyl-piperidin-1-ium bromide

Systemtic Name: 1-(3,3-diphenylpropyl)-1-methyl-piperidin-1-ium bromide Openeye Name: 1-(3,3-diphenylpropyl)-1-methyl-piperidin-1-ium bromide CAS Name: 1-(3,3-diphenylpropyl)-1-methylpiperidin-1-ium bromide IUPAC Name: 1-(3,3-diphenylpropyl)-1-methylpiperidin-1-ium bromide Traditional Name: 1-(3,3-diphenylpropyl)-1-methyl-piperidin-1-ium bromide Formula: C21H28BrN MolecularWeight: 374.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N.BrH/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3;1H/q+1;/p-1