N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)CC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)CC3=CC=CO3

InChI

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