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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-[(3R)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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