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

Systemtic Name: 2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-N-(phenylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-benzyl-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-N-(phenylmethyl)-3-benzofurancarboxamide IUPAC Name: N-benzyl-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide Traditional Name: N-benzyl-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-carboxamide Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NCC4=CC=CC=C4)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NCC4=CC=CC=C4)O

InChI

InChI=1S/C24H28N2O3/c1-16-8-6-7-13-26(16)15-19-20(27)11-12-21-23(19)22(17(2)29-21)24(28)25-14-18-9-4-3-5-10-18/h3-5,9-12,16,27H,6-8,13-15H2,1-2H3,(H,25,28)/p+1/t16-/m0/s1