4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CC(=O)N1C2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)OC)OCO4)C

Isomeric SMILES

CC1(C[NH+](CC(=O)N1C2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)OC)OCO4)C

InChI

InChI=1S/C22H26N2O5/c1-22(2)13-23(11-15-9-18(27-4)21-19(10-15)28-14-29-21)12-20(25)24(22)16-5-7-17(26-3)8-6-16/h5-10H,11-14H2,1-4H3/p+1