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

Systemtic Name: 2-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CC3=CC(=C4NC=CC=N4)C=CC3=O

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CC3=CC(=C4NC=CC=N4)C=CC3=O

InChI

InChI=1S/C22H22ClN3O2/c23-19-5-3-18(4-6-19)22(28)8-12-26(13-9-22)15-17-14-16(2-7-20(17)27)21-24-10-1-11-25-21/h1-7,10-11,14,24,28H,8-9,12-13,15H2/p+1