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

Systemtic Name: 4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H21ClN3O+ MolecularWeight: 330.83184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)NC=C3C=CC(=O)C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C18H20ClN3O/c19-17-5-1-16(2-6-17)14-21-9-11-22(12-10-21)20-13-15-3-7-18(23)8-4-15/h1-8,13,20H,9-12,14H2/p+1