N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-23(15-19(26)22-14-18-8-5-13-29-18)20(27)16-24-9-11-25(12-10-24)21(28)17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3,(H,22,26)/p+1