(3S)-2-[(1-cyanoindolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(1-cyanoindolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(1-cyanoindolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(1-cyano-2-indolizinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(1-cyanoindolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(1-cyanoindolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=CN4C=CC=CC4=C3C#N)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=CN4C=CC=CC4=C3C#N)C(=O)N

InChI

InChI=1S/C20H18N4O/c21-10-17-16(12-23-8-4-3-7-18(17)23)13-24-11-15-6-2-1-5-14(15)9-19(24)20(22)25/h1-8,12,19H,9,11,13H2,(H2,22,25)/p+1/t19-/m0/s1