6-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H21ClN3O+ MolecularWeight: 330.83184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)NC=C3C=CC=CC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)NC=C3C=CC=CC3=O

InChI

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