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

Systemtic Name: 2-methylpropyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate chloride Openeye Name: isobutyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate chloride CAS Name: 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylic acid 2-methylpropyl ester chloride IUPAC Name: 2-methylpropyl 5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium-7-carboxylate chloride Traditional Name: 5-phenyl-2,3-dihydro-1H-pyrazol[1,2-a]indazol-4-ium-7-carboxylic acid isobutyl ester chloride Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2O2.ClH/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;1H/q+1;/p-1