1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 2,2-dimethyl-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N2O3/c1-17(2,3)16(20)19-8-6-18(7-9-19)11-13-4-5-14-15(10-13)22-12-21-14/h4-5,10H,6-9,11-12H2,1-3H3/p+1