2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-(2-furfurylcarbamoyl)acetamide Formula: C20H25N5O3+2 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H23N5O3/c21-12-16-3-5-17(6-4-16)14-24-7-9-25(10-8-24)15-19(26)23-20(27)22-13-18-2-1-11-28-18/h1-6,11H,7-10,13-15H2,(H2,22,23,26,27)/p+2