[1-[(4-methylsulfanylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(4-methylsulfanylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(4-methylsulfanylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[[4-(methylthio)phenyl]methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(4-methylsulfanylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[4-(methylthio)benzyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Formula: C22H30NO2S+ MolecularWeight: 372.5441

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C22H29NO2S/c1-26-21-9-7-19(8-10-21)17-23-14-11-22(18-24,12-15-23)13-16-25-20-5-3-2-4-6-20/h2-10,24H,11-18H2,1H3/p+1