N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-methyl-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)isonipecotamide Formula: C27H39N4O+ MolecularWeight: 435.62476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=N1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O/c1-29(22-25-11-5-6-16-28-25)27(32)24-12-20-31(21-13-24)26-14-18-30(19-15-26)17-7-10-23-8-3-2-4-9-23/h2-6,8-9,11,16,24,26H,7,10,12-15,17-22H2,1H3/p+1