2-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C20H26N5O2+ MolecularWeight: 368.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H25N5O2/c21-13-18-17(15-25-4-2-1-3-19(18)25)14-22-5-7-23(8-6-22)16-20(26)24-9-11-27-12-10-24/h1-4,15H,5-12,14,16H2/p+1