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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-[3-(methylthio)propyl]ammonium Formula: C20H37N3O3S+2 MolecularWeight: 399.59108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3S/c1-22-8-10-23(11-9-22)15-18(24)16-26-20-13-17(5-6-19(20)25-2)14-21-7-4-12-27-3/h5-6,13,18,21,24H,4,7-12,14-16H2,1-3H3/p+2/t18-/m1/s1