1-morpholin-4-yl-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H25N5O2S/c28-20(26-11-13-29-14-12-26)16-25-7-9-27(10-8-25)22-17-4-1-2-5-18(17)23-21(24-22)19-6-3-15-30-19/h1-6,15H,7-14,16H2/p+1