propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H28N5O6S+ MolecularWeight: 490.55262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O6S/c1-13(2)33-22(30)18-14(3)19(20(23)29)34-21(18)24-17(28)12-25-8-10-26(11-9-25)15-4-6-16(7-5-15)27(31)32/h4-7,13H,8-12H2,1-3H3,(H2,23,29)(H,24,28)/p+1