(3R)-N-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(2-amino-2-oxo-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(2-amino-2-keto-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C12H16N3O2+ MolecularWeight: 234.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCC(=O)N

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NCC(=O)N

InChI

InChI=1S/C12H15N3O2/c13-11(16)7-15-12(17)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10,14H,5-7H2,(H2,13,16)(H,15,17)/p+1/t10-/m1/s1