N-[4-(cyanomethyl)phenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)CC#N)C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)CC#N)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H20N4O3/c20-8-7-15-3-5-16(6-4-15)21-18(24)14-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7,9-12,14H2,(H,21,24)/p+1