1,5-dimethyl-2-phenyl-4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]-3-pyrazolin-3-one Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC([NH+]=C2NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CC([NH+]=C2NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)(C)C)C

InChI

InChI=1S/C24H28N4O/c1-15-12-18-14-24(4,5)26-22(20(18)13-16(15)2)25-21-17(3)27(6)28(23(21)29)19-10-8-7-9-11-19/h7-13H,14H2,1-6H3,(H,25,26)/p+1