2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H30N4O5+2 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C21H28N4O5/c1-28-18-6-5-16(12-19(18)29-2)14-24-7-9-25(10-8-24)15-20(26)23-21(27)22-13-17-4-3-11-30-17/h3-6,11-12H,7-10,13-15H2,1-2H3,(H2,22,23,26,27)/p+2