N-[2,4-bis(azanyl)-6-oxidanyl-phenyl]-2-(1-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,4-bis(azanyl)-6-oxidanyl-phenyl]-2-(1-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,4-diamino-6-hydroxy-phenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,4-diamino-6-hydroxyphenyl)-2-(1-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,4-diamino-6-hydroxyphenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,4-diamino-6-hydroxy-phenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide Formula: C13H22N5O2+ MolecularWeight: 280.34608

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC(=O)NC2=C(C=C(C=C2O)N)N

Isomeric SMILES

C[N+]1(CCNCC1)CC(=O)NC2=C(C=C(C=C2O)N)N

InChI

InChI=1S/C13H21N5O2/c1-18(4-2-16-3-5-18)8-12(20)17-13-10(15)6-9(14)7-11(13)19/h6-7,16H,2-5,8,14-15H2,1H3,(H-,17,19,20)/p+1