[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-thiophen-2-ylpropyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-thiophen-2-ylpropyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-(2-thienyl)propyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-thiophen-2-ylpropyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-thiophen-2-ylpropyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-1-(2-thienyl)propyl]ammonium Formula: C16H20NO2S+ MolecularWeight: 290.4005

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)[NH2+]CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC[C@@H](C1=CC=CS1)[NH2+]C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H19NO2S/c1-2-13(16-8-5-9-20-16)17-10-12-11-18-14-6-3-4-7-15(14)19-12/h3-9,12-13,17H,2,10-11H2,1H3/p+1/t12-,13-/m0/s1