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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4)O

Isomeric SMILES

C1CC(CCC1NC(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4)O

InChI

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