N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-5-nitro-thiophene-2-carboxamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC=C(S1)[N+](=O)[O-])[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC=C(S1)[N+](=O)[O-])[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H23N3O3S/c1-13(2)16(21-10-9-14-5-3-4-6-15(14)12-21)11-20-19(23)17-7-8-18(26-17)22(24)25/h3-8,13,16H,9-12H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1