dimethyl 1-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]phenyl]pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]phenyl]pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]phenyl]pyrrole-3,4-dicarboxylate CAS Name: 1-methyl-2-[4-[[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]amino]phenyl]pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]phenyl]pyrrole-3,4-dicarboxylate Traditional Name: 1-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]phenyl]pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C28H32N3O5+ MolecularWeight: 490.57078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C(C(=C1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H31N3O5/c1-30-18-23(27(33)35-2)24(28(34)36-3)25(30)20-11-13-22(14-12-20)29-26(32)21-9-7-19(8-10-21)17-31-15-5-4-6-16-31/h7-14,18H,4-6,15-17H2,1-3H3,(H,29,32)/p+1