[3-methoxy-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: [3-methoxy-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[3-(methylthio)propyl]ammonium Formula: C19H34N2O4S+2 MolecularWeight: 386.54926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCCSC

Isomeric SMILES

COC1=CC=CC(=C1OC[C@H](C[NH+]2CCOCC2)O)C[NH2+]CCCSC

InChI

InChI=1S/C19H32N2O4S/c1-23-18-6-3-5-16(13-20-7-4-12-26-2)19(18)25-15-17(22)14-21-8-10-24-11-9-21/h3,5-6,17,20,22H,4,7-15H2,1-2H3/p+2/t17-/m0/s1