N'-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-ethanediamide

Systemtic Name: N'-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-ethanediamide Openeye Name: N'-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-oxamide CAS Name: N'-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-N-phenethyloxamide IUPAC Name: N'-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-phenethyloxamide Traditional Name: N'-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-oxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)CNC(=O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)CNC(=O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c25-20(22-13-10-17-6-2-1-3-7-17)21(26)23-16-18-11-14-24(15-12-18)19-8-4-5-9-19/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,25)(H,23,26)/p+1