N-(2-azanyl-4-methoxy-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-azanyl-4-methoxy-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-amino-4-methoxy-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-amino-4-methoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-amino-4-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-amino-4-methoxy-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2)N

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2)N

InChI

InChI=1S/C13H18N4O3/c1-20-9-2-3-11(10(14)6-9)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