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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCCSC)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCCSC)OC[C@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C19H32N2O3S/c1-23-18-7-6-16(13-20-8-5-11-25-2)19(12-18)24-15-17(22)14-21-9-3-4-10-21/h6-7,12,17,20,22H,3-5,8-11,13-15H2,1-2H3/p+2/t17-/m0/s1