N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C17H23N4O5+ MolecularWeight: 363.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H22N4O5/c1-12(22)21-6-4-20(5-7-21)11-16(23)19-17(24)18-13-2-3-14-15(10-13)26-9-8-25-14/h2-3,10H,4-9,11H2,1H3,(H2,18,19,23,24)/p+1