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

Systemtic Name: 6-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-allyl-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]-2-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 2-allyl-6-[[[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNN2CC[NH+](CC2)CC3=CC=CC=C3Cl)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNN2CC[NH+](CC2)CC3=CC=CC=C3Cl)C1=O

InChI

InChI=1S/C21H24ClN3O/c1-2-6-17-8-5-9-18(21(17)26)15-23-25-13-11-24(12-14-25)16-19-7-3-4-10-20(19)22/h2-5,7-10,15,23H,1,6,11-14,16H2/p+1