4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]C(CC4=CC=CC=C43)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]C(CC4=CC=CC=C43)(C)C

InChI

InChI=1S/C22H24N4O/c1-15-19(21(27)26(25(15)4)17-11-6-5-7-12-17)23-20-18-13-9-8-10-16(18)14-22(2,3)24-20/h5-13H,14H2,1-4H3,(H,23,24)/p+1