1-morpholin-4-yl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(6-phenylthieno[2,3-d]pyrimidin-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=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

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