N-ethyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-ethyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-ethyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-ethyl-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-ethyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-ethyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C22H36N3O+ MolecularWeight: 358.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-2-23-22(26)20-10-17-25(18-11-20)21-12-15-24(16-13-21)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,20-21H,2,6,9-18H2,1H3,(H,23,26)/p+1