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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O2/c21-18-6-1-2-7-19(18)24-12-10-23(11-13-24)16-20(26)25(9-4-8-22)15-17-5-3-14-27-17/h1-3,5-7,14H,4,9-13,15-16H2/p+1