N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4O/c28-23(16-26-13-12-17-6-4-5-7-19(17)15-26)24-22-14-21(18-10-11-18)25-27(22)20-8-2-1-3-9-20/h1-9,14,18H,10-13,15-16H2,(H,24,28)/p+1