2-methyl-1-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C16H22N2O4/c1-11(2)16(20)18-5-3-17(4-6-18)9-12-7-14-15(8-13(12)19)22-10-21-14/h7-8,11,19H,3-6,9-10H2,1-2H3/p+1