3-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]benzamide Formula: C22H22N3O3S+ MolecularWeight: 408.49338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C(CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H](CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C22H21N3O3S/c26-22(17-7-3-8-19(13-17)25(27)28)23-14-20(21-9-4-12-29-21)24-11-10-16-5-1-2-6-18(16)15-24/h1-9,12-13,20H,10-11,14-15H2,(H,23,26)/p+1/t20-/m1/s1