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

Systemtic Name: [4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-[2-(methylthio)ethyl]ammonium Formula: C19H35N3O3S+2 MolecularWeight: 385.5645

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH2+]CCSC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]CCSC)O

InChI

InChI=1S/C19H33N3O3S/c1-21-7-9-22(10-8-21)14-17(23)15-25-19-12-18(24-2)5-4-16(19)13-20-6-11-26-3/h4-5,12,17,20,23H,6-11,13-15H2,1-3H3/p+2/t17-/m1/s1