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

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=CC=C3O

InChI

InChI=1S/C20H24N4O3/c21-8-4-9-24(15-17-5-3-14-27-17)20(26)16-22-10-12-23(13-11-22)18-6-1-2-7-19(18)25/h1-3,5-7,14,25H,4,9-13,15-16H2/p+1