N-[(E)-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)amino]-N-phenyl-2-(thiolan-1-ium-1-yl)ethanamide

Systemtic Name: N-[(E)-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)amino]-N-phenyl-2-(thiolan-1-ium-1-yl)ethanamide Openeye Name: (1E)-2-morpholino-2-oxo-N-(N-(2-tetrahydrothiophen-1-ium-1-ylacetyl)anilino)acetimidoyl cyanide CAS Name: N-[(E)-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]amino]-N-phenyl-2-(1-thiolan-1-iumyl)acetamide IUPAC Name: (1E)-2-morpholin-4-yl-2-oxo-N-(N-[2-(thiolan-1-ium-1-yl)acetyl]anilino)ethanimidoyl cyanide Traditional Name: N-[(E)-(1-cyano-2-keto-2-morpholino-ethylidene)amino]-N-phenyl-2-tetrahydrothiophen-1-ium-1-yl-acetamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)CC(=O)N(C2=CC=CC=C2)N=C(C#N)C(=O)N3CCOCC3

Isomeric SMILES

C1CC[S+](C1)CC(=O)N(C2=CC=CC=C2)/N=C(\C#N)/C(=O)N3CCOCC3

InChI

InChI=1S/C19H23N4O3S/c20-14-17(19(25)22-8-10-26-11-9-22)21-23(16-6-2-1-3-7-16)18(24)15-27-12-4-5-13-27/h1-3,6-7H,4-5,8-13,15H2/q+1/b21-17+