N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1-benzofuran-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=CC=CC=C4O3

InChI

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