N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ium-4-yl-acetamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C16H21N3O2S/c17-10-13-12-4-2-1-3-5-14(12)22-16(13)18-15(20)11-19-6-8-21-9-7-19/h1-9,11H2,(H,18,20)/p+1