6-(4-phenyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(4-phenyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 6-(4-phenyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-phenyl-2-(1-piperazin-4-iumyl)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(4-phenyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 6-(4-phenyl-2-piperazin-4-ium-1-yl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=CC(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=CC(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O/c25-19-9-5-4-8-16(19)18-14-17(15-6-2-1-3-7-15)22-20(23-18)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2,(H,22,23)/p+1