N-(3-chloranyl-2-methyl-phenyl)-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofurancarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxamide Formula: C24H28ClN2O3+ MolecularWeight: 427.94372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=C(C(=CC=C4)Cl)C)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=C(C(=CC=C4)Cl)C)O

InChI

InChI=1S/C24H27ClN2O3/c1-14-7-4-5-12-27(14)13-17-20(28)10-11-21-23(17)22(16(3)30-21)24(29)26-19-9-6-8-18(25)15(19)2/h6,8-11,14,28H,4-5,7,12-13H2,1-3H3,(H,26,29)/p+1/t14-/m0/s1