[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2,6-dimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone Traditional Name: (2,6-dimethoxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5/c1-25-17-4-3-5-18(26-2)20(17)21(24)23-10-8-22(9-11-23)13-15-6-7-16-19(12-15)28-14-27-16/h3-7,12H,8-11,13-14H2,1-2H3/p+1