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

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3C=CC=CN3)C=CC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3C=CC=CN3)C=CC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O/c26-22-10-9-18(21-8-4-5-11-23-21)16-19(22)17-24-12-14-25(15-13-24)20-6-2-1-3-7-20/h1-11,16,23H,12-15,17H2/p+1