N-(2,4-dimethoxyphenyl)-3-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-[1-(2-naphthylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[1-(2-naphthalenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-[1-(2-naphthylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C27H33N2O3+ MolecularWeight: 433.56252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C27H32N2O3/c1-31-24-10-11-25(26(18-24)32-2)28-27(30)12-8-20-13-15-29(16-14-20)19-21-7-9-22-5-3-4-6-23(22)17-21/h3-7,9-11,17-18,20H,8,12-16,19H2,1-2H3,(H,28,30)/p+1