N'-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-N-propyl-ethanediamide

Systemtic Name: N'-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-N-propyl-ethanediamide Openeye Name: N'-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N-propyl-oxamide CAS Name: N'-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-N-propyloxamide IUPAC Name: N'-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N-propyloxamide Traditional Name: N'-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N-propyl-oxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2/c1-2-10-19-17(22)18(23)20-13-15-8-11-21(12-9-15)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,22)(H,20,23)/p+1