2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: N-benzyl-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c1-20-7-5-10-22(17-20)28(18-21-8-3-2-4-9-21)24(29)19-26-12-14-27(15-13-26)25(30)23-11-6-16-31-23/h2-11,16-17H,12-15,18-19H2,1H3/p+1