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

Systemtic Name: 3-[(3R)-1-cyclohexylcarbonylpiperidin-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-(cyclohexanecarbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-[cyclohexyl(oxo)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(cyclohexanecarbonyl)-3-piperidyl]propan-1-one Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCC(C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H39N3O2/c30-25(28-18-16-27(17-19-28)20-22-8-3-1-4-9-22)14-13-23-10-7-15-29(21-23)26(31)24-11-5-2-6-12-24/h1,3-4,8-9,23-24H,2,5-7,10-21H2/p+1/t23-/m1/s1