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

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H25N5O2+2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N5O2/c20-7-4-9-24(15-17-5-3-14-26-17)19(25)16-22-10-12-23(13-11-22)18-6-1-2-8-21-18/h1-3,5-6,8,14H,4,9-13,15-16H2/p+2