3-methyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]coumarilamide Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(C)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N[C@H](C)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24N2O2/c1-13(12-20-10-6-3-7-11-20)19-18(21)17-14(2)15-8-4-5-9-16(15)22-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1