5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium

Systemtic Name: 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Openeye Name: 5-(2,3-dihydrobenzofuran-5-ylmethyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium CAS Name: 5-(2,3-dihydrobenzofuran-5-ylmethyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Traditional Name: 5-(coumaran-5-ylmethyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1NN=C2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CC2=C1NN=C2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C21H21N3O/c1-2-4-16(5-3-1)21-18-14-24(10-8-19(18)22-23-21)13-15-6-7-20-17(12-15)9-11-25-20/h1-7,12H,8-11,13-14H2,(H,22,23)/p+1