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

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C17H20N4O2/c1-13(22)21-9-7-20(8-10-21)12-15-11-14(3-4-16(15)23)17-18-5-2-6-19-17/h2-6,11,18H,7-10,12H2,1H3/p+1