1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-methyl-piperidin-1-ium

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-methyl-piperidin-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylpiperidin-1-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-methyl-piperidin-1-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27NO2/c1-17-10-12-22(13-11-17)15-19-8-9-20(21(14-19)23-2)24-16-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3/p+1