[(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C22H28NO3S+ MolecularWeight: 386.52762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-25-18-10-11-20(26-2)17(13-18)15-23-12-6-7-16(14-23)22(24)19-8-4-5-9-21(19)27-3/h4-5,8-11,13,16H,6-7,12,14-15H2,1-3H3/p+1/t16-/m0/s1