2,3-dihydro-1-benzofuran-5-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: coumaran-5-ylmethyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C21H22N4O/c1-2-10-22-21(6-1)25-19-5-3-4-18(17(19)14-24-25)23-13-15-7-8-20-16(12-15)9-11-26-20/h1-2,6-8,10,12,14,18,23H,3-5,9,11,13H2/p+1/t18-/m0/s1