(3S)-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[2-(2-cyanoethylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[2-(2-cyanoethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[2-(2-cyanoethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[2-(2-cyanoethylamino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC(=O)NCCC#N)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC(=O)NCCC#N)C(=O)N

InChI

InChI=1S/C15H18N4O2/c16-6-3-7-18-14(20)10-19-9-12-5-2-1-4-11(12)8-13(19)15(17)21/h1-2,4-5,13H,3,7-10H2,(H2,17,21)(H,18,20)/p+1/t13-/m0/s1