5,8,8-trimethyl-3-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-3-azabicyclo[3.2.1]octane-2,4-dione dichloride

Systemtic Name: 5,8,8-trimethyl-3-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-3-azabicyclo[3.2.1]octane-2,4-dione dichloride Openeye Name: 3-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione dichloride CAS Name: 5,8,8-trimethyl-3-[3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-3-azabicyclo[3.2.1]octane-2,4-dione dichloride IUPAC Name: 3-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione dichloride Traditional Name: 3-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-quinone dichloride Formula: C24H37Cl2N3O2 MolecularWeight: 470.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)N(C2=O)CCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1(C2CCC1(C(=O)N(C2=O)CCC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C)C.[Cl-].[Cl-]

InChI

InChI=1S/C24H35N3O2.2ClH/c1-23(2)20-10-11-24(23,3)22(29)27(21(20)28)13-7-12-25-14-16-26(17-15-25)18-19-8-5-4-6-9-19;;/h4-6,8-9,20H,7,10-18H2,1-3H3;2*1H