2-hydroxyethyl-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-[[(2S)-2-methylcoumaran-5-yl]methyl]-(2-thenyl)ammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)C[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C17H21NO2S/c1-13-9-15-10-14(4-5-17(15)20-13)11-18(6-7-19)12-16-3-2-8-21-16/h2-5,8,10,13,19H,6-7,9,11-12H2,1H3/p+1/t13-/m0/s1