N-cyclopentyl-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide

Systemtic Name: N-cyclopentyl-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-cyclopentyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: N-cyclopentyl-5-hydroxy-2-methyl-4-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: N-cyclopentyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: N-cyclopentyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCC3)O)C(=O)NC4CCCC4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCC3)O)C(=O)NC4CCCC4

InChI

InChI=1S/C21H28N2O3/c1-14-19(21(25)22-15-7-3-4-8-15)20-16(13-23-11-5-2-6-12-23)17(24)9-10-18(20)26-14/h9-10,15,24H,2-8,11-13H2,1H3,(H,22,25)/p+1