N-(5-azanyl-2-methyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-amino-2-methylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-amino-2-methylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-amino-2-methyl-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H19N4O2+ MolecularWeight: 263.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H18N4O2/c1-9-2-3-10(14)6-11(9)16-13(19)8-17-5-4-15-12(18)7-17/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,18)(H,16,19)/p+1