N-(3-cyanothiophen-2-yl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C16H12N3OS+ MolecularWeight: 294.35098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H11N3OS/c17-9-13-6-8-21-16(13)18-15(20)11-19-7-5-12-3-1-2-4-14(12)10-19/h1-8,10H,11H2/p+1