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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[5-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]acetamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-2-20-8-6-7-11-23(20)27-25(30)18-28-14-16-29(17-15-28)26(31)24-13-12-22(33-24)19-32-21-9-4-3-5-10-21/h3-13H,2,14-19H2,1H3,(H,27,30)/p+1