(3R)-N-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(2-isopropylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2-propan-2-yl-3-pyrazolyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(2-isopropylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C16H20N4O/c1-11(2)20-15(7-8-18-20)19-16(21)14-9-12-5-3-4-6-13(12)10-17-14/h3-8,11,14,17H,9-10H2,1-2H3,(H,19,21)/p+1/t14-/m1/s1