2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-thiophen-2-ylpropyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-thiophen-2-ylpropyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(2-thienyl)propyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-thiophen-2-ylpropyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-thiophen-2-ylpropyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(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+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[C@@H](C1=CC=CS1)[NH2+]CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19NO2S/c1-2-13(16-4-3-9-20-16)17-11-12-5-6-14-15(10-12)19-8-7-18-14/h3-6,9-10,13,17H,2,7-8,11H2,1H3/p+1/t13-/m0/s1