N-[[(3R)-1-[(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(2-chloro-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CS3)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CS3)Cl)O

InChI

InChI=1S/C19H23ClN2O3S/c1-25-17-8-14(15(20)9-16(17)23)12-22-6-2-4-13(11-22)10-21-19(24)18-5-3-7-26-18/h3,5,7-9,13,23H,2,4,6,10-12H2,1H3,(H,21,24)/p+1/t13-/m1/s1