N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-23(16-20(26)22-14-19-8-5-13-28-19)21(27)17-25-11-9-24(10-12-25)15-18-6-3-2-4-7-18/h2-8,13H,9-12,14-17H2,1H3,(H,22,26)/p+2