N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethoxy-benzamide Formula: C23H28N3O6+ MolecularWeight: 442.48492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6/c1-29-18-6-4-17(12-20(18)30-2)23(28)24-13-22(27)26-9-7-25(8-10-26)14-16-3-5-19-21(11-16)32-15-31-19/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,28)/p+1