4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,5-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(=O)C=C2O

Isomeric SMILES

C[NH+]1CCN(CC1)NC=C2C=CC(=O)C=C2O

InChI

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