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

Systemtic Name: N-(oxan-4-ylmethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(tetrahydropyran-4-ylmethyl)piperidine-4-carboxamide CAS Name: N-(4-oxanylmethyl)-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(oxan-4-ylmethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-(tetrahydropyran-4-ylmethyl)isonipecotamide Formula: C26H42N3O2+ MolecularWeight: 428.63058

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(CC2)C(=O)NCC3CCOCC3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCC(CC2)C(=O)NCC3CCOCC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H41N3O2/c30-26(27-21-23-12-19-31-20-13-23)24-8-17-29(18-9-24)25-10-15-28(16-11-25)14-4-7-22-5-2-1-3-6-22/h1-3,5-6,23-25H,4,7-21H2,(H,27,30)/p+1