dimethyl-[(1R)-2-[[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[(3R)-6-hydroxycoumaran-3-yl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1COC2=C1C=CC(=C2)O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CN[C@H]1COC2=C1C=CC(=C2)O)C3=CC=CS3

InChI

InChI=1S/C16H20N2O2S/c1-18(2)14(16-4-3-7-21-16)9-17-13-10-20-15-8-11(19)5-6-12(13)15/h3-8,13-14,17,19H,9-10H2,1-2H3/p+1/t13-,14+/m0/s1