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

Systemtic Name: 2-methyl-1-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-propan-1-one Openeye Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-2-phenyl-propan-1-one CAS Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]-2-methyl-2-phenyl-1-propanone IUPAC Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-2-phenylpropan-1-one Traditional Name: 1-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-2-phenyl-propan-1-one Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C22H26N2O4/c1-22(2,17-6-4-3-5-7-17)21(26)24-10-8-23(9-11-24)14-16-12-19-20(13-18(16)25)28-15-27-19/h3-7,12-13,25H,8-11,14-15H2,1-2H3/p+1