1-[[3,5-dimethyl-4-(3-oxidanylidene-3-piperazin-1-yl-propyl)-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one

Systemtic Name: 1-[[3,5-dimethyl-4-(3-oxidanylidene-3-piperazin-1-yl-propyl)-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one Openeye Name: 1-[[3,5-dimethyl-4-(3-oxo-3-piperazin-1-yl-propyl)-1H-pyrrol-2-yl]methylene]indolin-1-ium-2-one CAS Name: 1-[[3,5-dimethyl-4-[3-oxo-3-(1-piperazinyl)propyl]-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one IUPAC Name: 1-[[3,5-dimethyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one Traditional Name: 1-[[4-(3-keto-3-piperazino-propyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]indolin-1-ium-2-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)N2CCNCC2)C)C=[N+]3C(=O)CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)N2CCNCC2)C)C=[N+]3C(=O)CC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O2/c1-15-18(7-8-21(27)25-11-9-23-10-12-25)16(2)24-19(15)14-26-20-6-4-3-5-17(20)13-22(26)28/h3-6,14,23H,7-13H2,1-2H3/p+1