(6-ethoxy-1,3-benzodioxol-5-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C19H26NO4S+ MolecularWeight: 364.47904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C[NH+](CC3=C(C=CS3)C)CC(C)O)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C[NH+](CC3=C(C=CS3)C)C[C@H](C)O)OCO2

InChI

InChI=1S/C19H25NO4S/c1-4-22-16-8-18-17(23-12-24-18)7-15(16)10-20(9-14(3)21)11-19-13(2)5-6-25-19/h5-8,14,21H,4,9-12H2,1-3H3/p+1/t14-/m0/s1