5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-5-methoxy-3-methyl-benzofuran-2-carboxamide CAS Name: 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-5-methoxy-3-methyl-coumarilamide Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC3C[NH+](CCO3)CC(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC[C@H]3C[NH+](CCO3)CC(C)C

InChI

InChI=1S/C20H28N2O4/c1-13(2)11-22-7-8-25-16(12-22)10-21-20(23)19-14(3)17-9-15(24-4)5-6-18(17)26-19/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1