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

Systemtic Name: (3S)-2-[(1-phenylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(1-phenylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(1-phenyl-4-pyrazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(1-phenylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(1-phenylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=CN(N=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=CN(N=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H20N4O/c21-20(25)19-10-16-6-4-5-7-17(16)14-23(19)12-15-11-22-24(13-15)18-8-2-1-3-9-18/h1-9,11,13,19H,10,12,14H2,(H2,21,25)/p+1/t19-/m0/s1