furan-2-ylmethyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-prop-2-ynyl-azanium

Systemtic Name: furan-2-ylmethyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-prop-2-ynyl-azanium Openeye Name: 2-furylmethyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: 2-furanylmethyl-[[2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]-prop-2-ynylammonium IUPAC Name: furan-2-ylmethyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]-prop-2-ynylazanium Traditional Name: 2-furfuryl-[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-propargyl-ammonium Formula: C22H30N2O3S+2 MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+](CC1=CC=CC=C1OCC(C[NH+]2CCSCC2)O)CC3=CC=CO3

Isomeric SMILES

C#CC[NH+](CC1=CC=CC=C1OC[C@H](C[NH+]2CCSCC2)O)CC3=CC=CO3

InChI

InChI=1S/C22H28N2O3S/c1-2-9-24(17-21-7-5-12-26-21)15-19-6-3-4-8-22(19)27-18-20(25)16-23-10-13-28-14-11-23/h1,3-8,12,20,25H,9-11,13-18H2/p+2/t20-/m0/s1