(3R)-2-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[3-(2-chloroanilino)-3-oxo-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[3-(2-chloroanilino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[3-(2-chloroanilino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[3-(2-chloroanilino)-3-keto-propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3Cl)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3Cl)C(=O)N

InChI

InChI=1S/C19H20ClN3O2/c20-15-7-3-4-8-16(15)22-18(24)9-10-23-12-14-6-2-1-5-13(14)11-17(23)19(21)25/h1-8,17H,9-12H2,(H2,21,25)(H,22,24)/p+1/t17-/m1/s1