methyl 2-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C18H22N3O5+ MolecularWeight: 360.38438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H21N3O5/c1-13-17(18(22)25-2)11-16(26-13)12-19-7-9-20(10-8-19)14-3-5-15(6-4-14)21(23)24/h3-6,11H,7-10,12H2,1-2H3/p+1