N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C16H21N4O5+ MolecularWeight: 349.36174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O5/c1-11(21)20-6-4-19(5-7-20)9-15(22)18-16(23)17-12-2-3-13-14(8-12)25-10-24-13/h2-3,8H,4-7,9-10H2,1H3,(H2,17,18,22,23)/p+1