N-[3-[4-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)piperidin-1-yl]phenyl]-4-phenyl-butanamide

Systemtic Name: N-[3-[4-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)piperidin-1-yl]phenyl]-4-phenyl-butanamide Openeye Name: N-[3-[4-[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]-1-piperidyl]phenyl]-4-phenyl-butanamide CAS Name: N-[3-[4-[4-hydroxy-4-(3-pyridinyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-4-phenylbutanamide IUPAC Name: N-[3-[4-(4-hydroxy-4-pyridin-3-ylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]-4-phenylbutanamide Traditional Name: N-[3-[4-[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]piperidino]phenyl]-4-phenyl-butyramide Formula: C31H39N4O2+ MolecularWeight: 499.66696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCC(CC2)(C3=CN=CC=C3)O)C4=CC(=CC=C4)NC(=O)CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH+]2CCC(CC2)(C3=CN=CC=C3)O)C4=CC(=CC=C4)NC(=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O2/c36-30(13-4-9-25-7-2-1-3-8-25)33-27-11-5-12-29(23-27)34-19-14-28(15-20-34)35-21-16-31(37,17-22-35)26-10-6-18-32-24-26/h1-3,5-8,10-12,18,23-24,28,37H,4,9,13-17,19-22H2,(H,33,36)/p+1