[(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C20H26NO4S+ MolecularWeight: 376.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C20H25NO4S/c1-13-6-8-26-20(13)18(22)15-5-4-7-21(12-15)11-14-9-16(24-2)19(23)17(10-14)25-3/h6,8-10,15,23H,4-5,7,11-12H2,1-3H3/p+1/t15-/m0/s1