N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)OC1

InChI

InChI=1S/C20H23N3O5/c24-19(21-15-4-5-16-18(13-15)28-12-2-11-26-16)14-22-6-8-23(9-7-22)20(25)17-3-1-10-27-17/h1,3-5,10,13H,2,6-9,11-12,14H2,(H,21,24)/p+1