(phenylmethyl) 2-ethoxy-1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 2-ethoxy-1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-carboxylate Openeye Name: benzyl 2-ethoxy-1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-carboxylate CAS Name: 2-ethoxy-1-methyl-4-phenyl-1-(2-pyridinylamino)-3-pyrrol-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethoxy-1-methyl-4-phenyl-1-(pyridin-2-ylamino)pyrrol-1-ium-3-carboxylate Traditional Name: 2-ethoxy-1-methyl-4-phenyl-1-(2-pyridylamino)pyrrol-1-ium-3-carboxylic acid benzyl ester Formula: C26H26N3O3+ MolecularWeight: 428.50294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C[N+]1(C)NC2=CC=CC=N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=C[N+]1(C)NC2=CC=CC=N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N3O3/c1-3-31-25-24(26(30)32-19-20-12-6-4-7-13-20)22(21-14-8-5-9-15-21)18-29(25,2)28-23-16-10-11-17-27-23/h4-18H,3,19H2,1-2H3,(H,27,28)/q+1