N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C22H27N3O2/c23-11-5-12-25(17-21-8-4-15-27-21)22(26)18-24-13-9-20(10-14-24)16-19-6-2-1-3-7-19/h1-4,6-8,15,20H,5,9-10,12-14,16-18H2/p+1