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

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N5O5+ MolecularWeight: 416.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5/c1-22(14-19(26)21-13-18-3-2-12-30-18)20(27)15-23-8-10-24(11-9-23)16-4-6-17(7-5-16)25(28)29/h2-7,12H,8-11,13-15H2,1H3,(H,21,26)/p+1