N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N6O2/c19-5-2-8-24(14-16-4-1-13-26-16)17(25)15-22-9-11-23(12-10-22)18-20-6-3-7-21-18/h1,3-4,6-7,13H,2,8-12,14-15H2/p+1