(3S)-2-ethyl-N-(2-ethyl-4-methyl-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-ethyl-N-(2-ethyl-4-methyl-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-ethyl-N-(2-ethyl-4-methyl-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-ethyl-N-(2-ethyl-4-methyl-3-pyrazolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-ethyl-N-(2-ethyl-4-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-ethyl-N-(2-ethyl-4-methyl-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H25N4O+ MolecularWeight: 313.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC2=CC=CC=C2CC1C(=O)NC3=C(C=NN3CC)C

Isomeric SMILES

CC[NH+]1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=NN3CC)C

InChI

InChI=1S/C18H24N4O/c1-4-21-12-15-9-7-6-8-14(15)10-16(21)18(23)20-17-13(3)11-19-22(17)5-2/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1