1-[4-(phenylmethyl)piperazin-1-yl]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c30-25(29-17-15-27(16-18-29)19-22-7-2-1-3-8-22)12-11-23-9-6-14-28(20-23)21-24-10-4-5-13-26-24/h1-5,7-8,10,13,23H,6,9,11-12,14-21H2/p+1/t23-/m1/s1