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

Systemtic Name: N-[2,4-bis(azanyl)-6-oxidanyl-phenyl]-2-(1-methylpiperazin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(2,4-diamino-6-hydroxy-phenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide chloride CAS Name: N-(2,4-diamino-6-hydroxyphenyl)-2-(1-methyl-1-piperazin-1-iumyl)acetamide chloride IUPAC Name: N-(2,4-diamino-6-hydroxyphenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide chloride Traditional Name: N-(2,4-diamino-6-hydroxy-phenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide chloride Formula: C13H22ClN5O2 MolecularWeight: 315.79908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O2.ClH/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);1H