[(2S)-3-azaniumyl-2-oxidanyl-propyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-azaniumyl-2-oxidanyl-propyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-3-azaniumyl-2-hydroxy-propyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [(2S)-3-ammonio-2-hydroxypropyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-3-azaniumyl-2-hydroxypropyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-ammonio-2-hydroxy-propyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C13H20N2O2S+2 MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH+](CC2=CC=CS2)CC(C[NH3+])O

Isomeric SMILES

C1=COC(=C1)C[NH+](CC2=CC=CS2)C[C@H](C[NH3+])O

InChI

InChI=1S/C13H18N2O2S/c14-7-11(16)8-15(9-12-3-1-5-17-12)10-13-4-2-6-18-13/h1-6,11,16H,7-10,14H2/p+2/t11-/m0/s1