N-(4-methylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[5-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-19-7-9-20(10-8-19)26-24(29)17-27-13-15-28(16-14-27)25(30)23-12-11-22(32-23)18-31-21-5-3-2-4-6-21/h2-12H,13-18H2,1H3,(H,26,29)/p+1