1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride

Systemtic Name: 1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride Openeye Name: 1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride CAS Name: 1-[[2-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride IUPAC Name: 1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride Traditional Name: 1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride Formula: C21H34Cl2N2O2 MolecularWeight: 417.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)C[NH+]3CCCCC3)CC[NH+]4CCCCC4.[Cl-].[Cl-]

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)C[NH+]3CCCCC3)CC[NH+]4CCCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C21H32N2O2.2ClH/c1-21(10-15-22-11-4-2-5-12-22)24-19-9-8-18(16-20(19)25-21)17-23-13-6-3-7-14-23;;/h8-9,16H,2-7,10-15,17H2,1H3;2*1H