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

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-20-8-7-17(21-22-9-4-10-23-21)15-18(20)16-24-11-13-25(14-12-24)19-5-2-1-3-6-19/h1-10,15,22H,11-14,16H2/p+1