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

Systemtic Name: 3-[(3R)-1-(2-phenoxyethanoyl)piperidin-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-(2-phenoxyacetyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-(1-oxo-2-phenoxyethyl)-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-phenoxyacetyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-phenoxyacetyl)-3-piperidyl]propan-1-one Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC=CC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=CC=CC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c31-26(29-18-16-28(17-19-29)20-23-8-3-1-4-9-23)14-13-24-10-7-15-30(21-24)27(32)22-33-25-11-5-2-6-12-25/h1-6,8-9,11-12,24H,7,10,13-22H2/p+1/t24-/m1/s1