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

Systemtic Name: 3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C28H38N4O+2 MolecularWeight: 446.62752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CNC3=CC=CC=C32)CCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CNC3=CC=CC=C32)CCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H36N4O/c33-28(32-17-15-30(16-18-32)20-23-7-2-1-3-8-23)13-12-24-9-6-14-31(21-24)22-25-19-29-27-11-5-4-10-26(25)27/h1-5,7-8,10-11,19,24,29H,6,9,12-18,20-22H2/p+2/t24-/m1/s1