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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-[3-(4-pyridyl)propanoyl]-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-(1-oxo-3-pyridin-4-ylpropyl)-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-[3-(4-pyridyl)propanoyl]-3-piperidyl]propan-1-one Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC=NC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=CC=NC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c32-26(30-19-17-29(18-20-30)21-24-5-2-1-3-6-24)11-9-25-7-4-16-31(22-25)27(33)10-8-23-12-14-28-15-13-23/h1-3,5-6,12-15,25H,4,7-11,16-22H2/p+1/t25-/m1/s1