2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-piperonylpiperazin-1-ium-1-yl)-N-veratryl-acetamide Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H29N3O5/c1-28-19-5-3-17(11-21(19)29-2)13-24-23(27)15-26-9-7-25(8-10-26)14-18-4-6-20-22(12-18)31-16-30-20/h3-6,11-12H,7-10,13-16H2,1-2H3,(H,24,27)/p+1