N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C22H26N4O3/c1-18(27)19-5-7-20(8-6-19)25-13-11-24(12-14-25)17-22(28)26(10-3-9-23)16-21-4-2-15-29-21/h2,4-8,15H,3,10-14,16-17H2,1H3/p+1