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

Systemtic Name: methyl-[(1R)-2-phenyl-1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: methyl-[(1R)-2-phenyl-1-[1-(2-phenylsulfanylacetyl)-4-piperidyl]ethyl]-(3-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-1-[1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinyl]-2-phenylethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[(1R)-2-phenyl-1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: methyl-[(1R)-2-phenyl-1-[1-[2-(phenylthio)acetyl]-4-piperidyl]ethyl]-(3-pyridylmethyl)ammonium Formula: C28H34N3OS+ MolecularWeight: 460.65406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C28H33N3OS/c1-30(21-24-11-8-16-29-20-24)27(19-23-9-4-2-5-10-23)25-14-17-31(18-15-25)28(32)22-33-26-12-6-3-7-13-26/h2-13,16,20,25,27H,14-15,17-19,21-22H2,1H3/p+1/t27-/m1/s1