N-(3-cyanothiophen-2-yl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=O)NC3=C(C=CS3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=O)NC3=C(C=CS3)C#N)OC

InChI

InChI=1S/C19H21N3O3S/c1-24-16-9-13-3-6-22(12-15(13)10-17(16)25-2)7-4-18(23)21-19-14(11-20)5-8-26-19/h5,8-10H,3-4,6-7,12H2,1-2H3,(H,21,23)/p+1