N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H25N3O4/c1-12(2)18(13-3-4-14-15(9-13)25-8-7-24-14)20-17(23)11-21-6-5-19-16(22)10-21/h3-4,9,12,18H,5-8,10-11H2,1-2H3,(H,19,22)(H,20,23)/p+1/t18-/m1/s1