N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

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