6-[[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-allyl-6-[[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 2-allyl-6-[[[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)C1=O

InChI

InChI=1S/C23H26N4O2/c1-2-6-18-7-5-8-19(22(18)28)17-24-23-25-20-9-3-4-10-21(20)27(23)12-11-26-13-15-29-16-14-26/h2-5,7-10,17H,1,6,11-16H2,(H,24,25)/p+1