5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-pyridin-1-ium-2-amine

Systemtic Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-pyridin-1-ium-2-amine Openeye Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-N-methyl-pyridin-1-ium-2-amine CAS Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-N-methyl-2-pyridin-1-iumamine IUPAC Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpyridin-1-ium-2-amine Traditional Name: [(2R)-coumaran-2-yl]methyl-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-methyl-amine Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC2=CC=CC=C2O1)C3=[NH+]C=C(C=C3)C4=NC(=NO4)C5CC5

Isomeric SMILES

CN(C[C@H]1CC2=CC=CC=C2O1)C3=[NH+]C=C(C=C3)C4=NC(=NO4)C5CC5

InChI

InChI=1S/C20H20N4O2/c1-24(12-16-10-14-4-2-3-5-17(14)25-16)18-9-8-15(11-21-18)20-22-19(23-26-20)13-6-7-13/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3/p+1/t16-/m1/s1