4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)NC=C3C=CC(=O)C=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C18H20ClN3O2/c19-17-4-2-1-3-15(17)13-21-7-9-22(10-8-21)20-12-14-5-6-16(23)11-18(14)24/h1-6,11-12,20,24H,7-10,13H2/p+1