6-[[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-methylpiperazin-4-ium-1-yl)anilino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(4-methylpiperazin-4-ium-1-yl)anilino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-methylpiperazin-4-ium-1-yl)anilino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)N3CC[NH+](CC3)C)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)N3CC[NH+](CC3)C)C=C1

InChI

InChI=1S/C21H27N3O2/c1-3-14-26-20-9-4-17(21(25)15-20)16-22-18-5-7-19(8-6-18)24-12-10-23(2)11-13-24/h4-9,15-16,22H,3,10-14H2,1-2H3/p+1