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

Systemtic Name: methyl-[(1R)-2-phenyl-1-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: methyl-[(1R)-2-phenyl-1-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]ethyl]-(4-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-1-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-2-phenylethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: methyl-[(1R)-2-phenyl-1-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: methyl-[(1R)-2-phenyl-1-[1-(3-phenylpropioloyl)-4-piperidyl]ethyl]-(4-pyridylmethyl)ammonium Formula: C29H32N3O+ MolecularWeight: 438.58388

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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)C#CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O/c1-31(23-26-14-18-30-19-15-26)28(22-25-10-6-3-7-11-25)27-16-20-32(21-17-27)29(33)13-12-24-8-4-2-5-9-24/h2-11,14-15,18-19,27-28H,16-17,20-23H2,1H3/p+1/t28-/m1/s1