N-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-5-phenyl-pentanamide

Systemtic Name: N-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-5-phenyl-pentanamide Openeye Name: N-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]-1-piperidyl]phenyl]-5-phenyl-pentanamide CAS Name: N-[4-[4-[(3S)-3-methoxy-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-5-phenylpentanamide IUPAC Name: N-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]-5-phenylpentanamide Traditional Name: N-[4-[4-[(3S)-3-methoxypiperidin-1-ium-1-yl]piperidino]phenyl]-5-phenyl-valeramide Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O2/c1-33-27-11-7-19-31(22-27)26-17-20-30(21-18-26)25-15-13-24(14-16-25)29-28(32)12-6-5-10-23-8-3-2-4-9-23/h2-4,8-9,13-16,26-27H,5-7,10-12,17-22H2,1H3,(H,29,32)/p+1/t27-/m0/s1