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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-piperonyl-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c1-2-27-19-6-4-3-5-18(19)25-11-9-24(10-12-25)15-22(26)23-14-17-7-8-20-21(13-17)29-16-28-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,23,26)/p+1