2-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-p-cumenyl-acetamide Formula: C27H30N3O5+ MolecularWeight: 476.5442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2)OCO3)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2)OCO3)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H29N3O5/c1-18(2)19-5-8-21(9-6-19)28-26(31)25(20-7-10-22-24(16-20)35-17-34-22)29-11-13-30(14-12-29)27(32)23-4-3-15-33-23/h3-10,15-16,18,25H,11-14,17H2,1-2H3,(H,28,31)/p+1