(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C14H17N3O4/c1-9(17-5-4-15-13(18)7-17)14(19)16-10-2-3-11-12(6-10)21-8-20-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,19)/p+1/t9-/m0/s1