N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22N5O4+ MolecularWeight: 384.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O4/c1-13-14(2)28-19(17(13)11-20)21-18(25)12-22-7-9-23(10-8-22)15-3-5-16(6-4-15)24(26)27/h3-6H,7-10,12H2,1-2H3,(H,21,25)/p+1