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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(methylthio)ethyl]ammonium Formula: C19H34N2O3S+2 MolecularWeight: 370.54986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCSC)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCSC)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C19H32N2O3S/c1-23-18-7-6-16(13-20-8-11-25-2)12-19(18)24-15-17(22)14-21-9-4-3-5-10-21/h6-7,12,17,20,22H,3-5,8-11,13-15H2,1-2H3/p+2/t17-/m1/s1