2-(azepan-1-ium-1-yl)-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-2-thienyl)acetamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C13H17N3OS/c14-9-11-5-8-18-13(11)15-12(17)10-16-6-3-1-2-4-7-16/h5,8H,1-4,6-7,10H2,(H,15,17)/p+1