methyl-[(1R)-1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2-phenyl-ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: methyl-[(1R)-1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2-phenyl-ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: methyl-[(1R)-1-[1-(3-phenoxypropanoyl)-4-piperidyl]-2-phenyl-ethyl]-(4-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-1-[1-(1-oxo-3-phenoxypropyl)-4-piperidinyl]-2-phenylethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: methyl-[(1R)-1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2-phenylethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: methyl-[(1R)-1-[1-(3-phenoxypropanoyl)-4-piperidyl]-2-phenyl-ethyl]-(4-pyridylmethyl)ammonium Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O2/c1-31(23-25-12-17-30-18-13-25)28(22-24-8-4-2-5-9-24)26-14-19-32(20-15-26)29(33)16-21-34-27-10-6-3-7-11-27/h2-13,17-18,26,28H,14-16,19-23H2,1H3/p+1/t28-/m1/s1