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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN(C1CCOCC1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H41N3O2/c1-27(24-13-20-31-21-14-24)26(30)23-9-18-29(19-10-23)25-11-16-28(17-12-25)15-5-8-22-6-3-2-4-7-22/h2-4,6-7,23-25H,5,8-21H2,1H3/p+1