[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl-[(3-methylthiophen-2-yl)methyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl-[(3-methylthiophen-2-yl)methyl]-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: 3-hydroxypropyl-[[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: 3-hydroxypropyl-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: 3-hydroxypropyl-[[(2S)-2-methylcoumaran-5-yl]methyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C19H26NO2S+ MolecularWeight: 332.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2S/c1-14-6-9-23-19(14)13-20(7-3-8-21)12-16-4-5-18-17(11-16)10-15(2)22-18/h4-6,9,11,15,21H,3,7-8,10,12-13H2,1-2H3/p+1/t15-/m0/s1