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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CC3=CC(=C4NC=CC=N4)C=CC3=O

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CC3=CC(=C4NC=CC=N4)C=CC3=O

InChI

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