N-(furan-2-ylmethylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H15N3O3/c21-16(19-17(22)18-10-15-6-3-9-23-15)12-20-8-7-13-4-1-2-5-14(13)11-20/h1-9,11H,10,12H2,(H-,18,19,21,22)/p+1