cyclopentyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclopentyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: cyclopentyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: cyclopentyl-[[2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: cyclopentyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: cyclopentyl-[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C19H32N2O2S+2 MolecularWeight: 352.53458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CCC(C1)[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C19H30N2O2S/c22-18(14-21-9-11-24-12-10-21)15-23-19-8-4-1-5-16(19)13-20-17-6-2-3-7-17/h1,4-5,8,17-18,20,22H,2-3,6-7,9-15H2/p+2/t18-/m0/s1