(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H19N3O4/c1-10(18-5-4-16-14(19)9-18)15(20)17-11-2-3-12-13(8-11)22-7-6-21-12/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)(H,17,20)/p+1/t10-/m1/s1