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

Systemtic Name: [(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-o-veratrylpiperidin-1-ium-3-yl]methanone Formula: C22H28NO3S+ MolecularWeight: 386.52762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H27NO3S/c1-25-20-8-4-6-18(22(20)26-2)15-23-13-5-7-17(14-23)21(24)16-9-11-19(27-3)12-10-16/h4,6,8-12,17H,5,7,13-15H2,1-3H3/p+1/t17-/m0/s1