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

Systemtic Name: [(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C19H21BrNO3S+ MolecularWeight: 423.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCC(C[NH+](CC2=CC=CO2)CC3=CC=CS3)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OC[C@H](C[NH+](CC2=CC=CO2)CC3=CC=CS3)O

InChI

InChI=1S/C19H20BrNO3S/c20-15-4-1-5-17(10-15)24-14-16(22)11-21(12-18-6-2-8-23-18)13-19-7-3-9-25-19/h1-10,16,22H,11-14H2/p+1/t16-/m0/s1