N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-isovalerylpiperazin-1-ium-1-yl)acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-14(2)11-19(24)22-7-5-21(6-8-22)13-18(23)20-15-3-4-16-17(12-15)26-10-9-25-16/h3-4,12,14H,5-11,13H2,1-2H3,(H,20,23)/p+1