3-methylsulfanylpropyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: 3-methylsulfanylpropyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: 3-methylsulfanylpropyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: 3-(methylthio)propyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: 3-methylsulfanylpropyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: 3-(methylthio)propyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH2+]C1CCCC2=C1C=CO2

Isomeric SMILES

CSCCC[NH2+][C@H]1CCCC2=C1C=CO2

InChI

InChI=1S/C12H19NOS/c1-15-9-3-7-13-11-4-2-5-12-10(11)6-8-14-12/h6,8,11,13H,2-5,7,9H2,1H3/p+1/t11-/m0/s1