N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]coumarilamide Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c26-21(23-17-7-2-1-3-8-17)15-25-12-10-18(11-13-25)24-22(27)20-14-16-6-4-5-9-19(16)28-20/h1-9,14,18H,10-13,15H2,(H,23,26)(H,24,27)/p+1