3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3-phenylpropioloyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C#CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H30N4O2/c31-25(29-19-17-28(18-20-29)24-10-4-5-15-27-24)14-12-23-9-6-16-30(21-23)26(32)13-11-22-7-2-1-3-8-22/h1-5,7-8,10,15,23H,6,9,12,14,16-21H2/p+1/t23-/m1/s1