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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-24-19-7-3-5-16(13-19)14-22-12-4-6-18(15-22)21(23)17-8-10-20(25-2)11-9-17/h3,5,7-11,13,18H,4,6,12,14-15H2,1-2H3/p+1/t18-/m0/s1