N-(3-cyanothiophen-2-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H17N3OS/c18-11-14-7-10-22-17(14)19-16(21)6-9-20-8-5-13-3-1-2-4-15(13)12-20/h1-4,7,10H,5-6,8-9,12H2,(H,19,21)/p+1