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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-[(3R)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propan-1-one Formula: C28H41N3O+2 MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O/c32-28(31-21-19-30(20-22-31)23-26-11-5-2-6-12-26)16-15-27-14-8-18-29(24-27)17-7-13-25-9-3-1-4-10-25/h1-6,9-12,27H,7-8,13-24H2/p+2/t27-/m1/s1