2-methylpropyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate

Systemtic Name: 2-methylpropyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate Openeye Name: isobutyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate CAS Name: 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate Traditional Name: 5-phenyl-2,3-dihydro-1H-pyrazol[1,2-a]indazol-4-ium-7-carboxylic acid isobutyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC2=C(C=C1)N3CCC[N+]3=C2C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC2=C(C=C1)N3CCC[N+]3=C2C4=CC=CC=C4

InChI

InChI=1S/C21H23N2O2/c1-15(2)14-25-21(24)17-9-10-19-18(13-17)20(16-7-4-3-5-8-16)23-12-6-11-22(19)23/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3/q+1