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

Systemtic Name: 6-[[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-4-13-27-20-7-5-18(22(26)15-20)16-23-21-8-6-19(14-17(21)2)25-11-9-24(3)10-12-25/h5-8,14-16,23H,4,9-13H2,1-3H3/p+1