N-(2-methyl-1-benzofuran-7-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(2-methyl-1-benzofuran-7-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(2-methylbenzofuran-7-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(2-methyl-7-benzofuranyl)-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(2-methyl-1-benzofuran-7-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(2-methylbenzofuran-7-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C(=CC=C2)NC(=O)C3=CC=C(S3)C4CCC[NH2+]4

Isomeric SMILES

CC1=CC2=C(O1)C(=CC=C2)NC(=O)C3=CC=C(S3)[C@H]4CCC[NH2+]4

InChI

InChI=1S/C18H18N2O2S/c1-11-10-12-4-2-5-14(17(12)22-11)20-18(21)16-8-7-15(23-16)13-6-3-9-19-13/h2,4-5,7-8,10,13,19H,3,6,9H2,1H3,(H,20,21)/p+1/t13-/m1/s1