[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [2-(methylthio)phenyl]-[(3S)-1-p-anisylpiperidin-1-ium-3-yl]methanone Formula: C21H26NO2S+ MolecularWeight: 356.50164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H25NO2S/c1-24-18-11-9-16(10-12-18)14-22-13-5-6-17(15-22)21(23)19-7-3-4-8-20(19)25-2/h3-4,7-12,17H,5-6,13-15H2,1-2H3/p+1/t17-/m0/s1