bis[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: bis[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(pyridin-2-ylmethyl)azanium Openeye Name: bis[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-(2-pyridylmethyl)ammonium CAS Name: bis[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(2-pyridinylmethyl)ammonium IUPAC Name: bis[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(pyridin-2-ylmethyl)azanium Traditional Name: bis[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-(2-pyridylmethyl)ammonium Formula: C28H35N4O6+ MolecularWeight: 523.6007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](CC2=CC=CC=N2)CC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](CC2=CC=CC=N2)CC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C)C

InChI

InChI=1S/C28H34N4O6/c1-7-37-27(35)23-16(3)25(30-18(23)5)21(33)14-32(13-20-11-9-10-12-29-20)15-22(34)26-17(4)24(19(6)31-26)28(36)38-8-2/h9-12,30-31H,7-8,13-15H2,1-6H3/p+1