[2-(cyanomethoxy)phenyl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2-(cyanomethoxy)phenyl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[2-(cyanomethoxy)phenyl]methyl]ammonium CAS Name: [2-(cyanomethoxy)phenyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[2-(cyanomethoxy)phenyl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(cyanomethoxy)benzyl]ammonium Formula: C21H27N3O+2 MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC=CC=C2OCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC=CC=C2OCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c22-12-15-25-21-9-5-4-8-19(21)16-23-20-10-13-24(14-11-20)17-18-6-2-1-3-7-18/h1-9,20,23H,10-11,13-17H2/p+2