6-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-hydroxy-6-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-hydroxy-6-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-hydroxy-6-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-hydroxy-6-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C=CC=C(C2=O)O

Isomeric SMILES

C[NH+]1CCN(CC1)NC=C2C=CC=C(C2=O)O

InChI

InChI=1S/C12H17N3O2/c1-14-5-7-15(8-6-14)13-9-10-3-2-4-11(16)12(10)17/h2-4,9,13,16H,5-8H2,1H3/p+1