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

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

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