1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyrazolin-3-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c1-16-20(15-23-13-12-17-8-6-7-9-18(17)14-23)21(25)24(22(16)2)19-10-4-3-5-11-19/h3-11H,12-15H2,1-2H3/p+1