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

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)C[NH+]2CCNC(=O)C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC(=O)C[NH+]2CCNC(=O)C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H27N3O4/c24-18-12-23(8-7-21-18)13-19(25)22-14-20(5-1-2-6-20)15-3-4-16-17(11-15)27-10-9-26-16/h3-4,11H,1-2,5-10,12-14H2,(H,21,24)(H,22,25)/p+1