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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: (3,4-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=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

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

InChI

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