[2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-[3-(methylthio)propyl]ammonium Formula: C22H40N2O3S+2 MolecularWeight: 412.6296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCCSC)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCCSC)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C22H38N2O3S/c1-26-21-10-9-19(16-23-11-8-14-28-2)22(15-21)27-18-20(25)17-24-12-6-4-3-5-7-13-24/h9-10,15,20,23,25H,3-8,11-14,16-18H2,1-2H3/p+2/t20-/m1/s1