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

Systemtic Name: (3-methylphenyl)methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(m-tolylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[(3-methylphenyl)methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[(3-methylphenyl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(3-methylbenzyl)ammonium Formula: C22H32N2O2S+2 MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H30N2O2S/c1-18-5-4-6-19(13-18)14-23-15-20-7-2-3-8-22(20)26-17-21(25)16-24-9-11-27-12-10-24/h2-8,13,21,23,25H,9-12,14-17H2,1H3/p+2/t21-/m1/s1