N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H23N3O4/c1-13(21)20-7-5-19(6-8-20)12-17(22)18-14-3-4-15-16(11-14)24-10-2-9-23-15/h3-4,11H,2,5-10,12H2,1H3,(H,18,22)/p+1