N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C23H27N3O5/c1-3-29-20-7-5-4-6-19(20)26-10-8-25(9-11-26)14-23(28)24-18-13-22-21(30-15-31-22)12-17(18)16(2)27/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,24,28)/p+1