N-(2,6-dimethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[5-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]acetamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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