2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C16H20N4O/c1-19-7-9-20(10-8-19)12-14-11-13(3-4-15(14)21)16-17-5-2-6-18-16/h2-6,11,17H,7-10,12H2,1H3/p+1