N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)acetamide Formula: C19H27ClN3O4+ MolecularWeight: 396.88838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C19H26ClN3O4/c1-13(2)19(25)23-6-4-22(5-7-23)12-18(24)21-15-11-17-16(10-14(15)20)26-8-3-9-27-17/h10-11,13H,3-9,12H2,1-2H3,(H,21,24)/p+1