dimethyl-[2-oxidanylidene-2-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-oxidanylidene-2-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]azanium Openeye Name: dimethyl-[2-oxo-2-[[(2R)-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methylamino]ethyl]ammonium CAS Name: dimethyl-[2-oxo-2-[[(2R)-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-oxo-2-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]azanium Traditional Name: [2-keto-2-[[(2R)-7-(4-pyridyl)coumaran-2-yl]methylamino]ethyl]-dimethyl-ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)NCC1CC2=CC=CC(=C2O1)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CC(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=CC=NC=C3

InChI

InChI=1S/C18H21N3O2/c1-21(2)12-17(22)20-11-15-10-14-4-3-5-16(18(14)23-15)13-6-8-19-9-7-13/h3-9,15H,10-12H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1