2-[5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[5-(2,3-dihydrobenzofuran-5-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[5-(2,3-dihydrobenzofuran-5-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-carbethoxy-5-(coumaran-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-ammonium Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=CC4=C(C=C3)OCC4)CC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=CC4=C(C=C3)OCC4)CC[NH+](C)C

InChI

InChI=1S/C22H30N4O3/c1-4-28-22(27)21-18-15-25(9-7-19(18)26(23-21)11-10-24(2)3)14-16-5-6-20-17(13-16)8-12-29-20/h5-6,13H,4,7-12,14-15H2,1-3H3/p+1