N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-propoxy-benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-propoxy-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-propoxy-benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-propoxybenzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-propoxybenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-propoxy-benzamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-15-26-21-10-6-9-19(16-21)22(25)23-20-11-13-24(14-12-20)17-18-7-4-3-5-8-18/h3-10,16,20H,2,11-15,17H2,1H3,(H,23,25)/p+1