4-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-6,6-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-4-ium-2-one Traditional Name: 1-(4-methoxyphenyl)-6,6-dimethyl-4-piperonyl-piperazin-4-ium-2-one Formula: C21H25N2O4+ MolecularWeight: 369.4342

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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)OCO4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-21(2)13-22(11-15-4-9-18-19(10-15)27-14-26-18)12-20(24)23(21)16-5-7-17(25-3)8-6-16/h4-10H,11-14H2,1-3H3/p+1