N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H27N3O4/c1-13(2)19(21-18(24)12-22-7-6-20-17(23)11-22)14-4-5-15-16(10-14)26-9-3-8-25-15/h4-5,10,13,19H,3,6-9,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1/t19-/m1/s1