N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H26N4O2/c1-17-22(23(29)27(25(17)2)20-10-4-3-5-11-20)24-21(28)13-15-26-14-12-18-8-6-7-9-19(18)16-26/h3-11H,12-16H2,1-2H3,(H,24,28)/p+1