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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C22H27NO3S/c1-25-20-11-8-17(13-21(20)26-2)22(24)18-5-4-12-23(15-18)14-16-6-9-19(27-3)10-7-16/h6-11,13,18H,4-5,12,14-15H2,1-3H3/p+1/t18-/m0/s1