ethyl 6-acetamido-4-acetyloxy-2-methyl-1,5-bis(phenylmethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-acetamido-4-acetyloxy-2-methyl-1,5-bis(phenylmethyl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-acetamido-4-acetoxy-1,5-dibenzyl-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 6-acetamido-4-acetyloxy-2-methyl-1,5-bis(phenylmethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-acetamido-4-acetyloxy-1,5-dibenzyl-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 6-acetamido-4-acetoxy-1,5-dibenzyl-2-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C27H29N2O5+ MolecularWeight: 461.52956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C([N+](=C1C)CC2=CC=CC=C2)NC(=O)C)CC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C([N+](=C1C)CC2=CC=CC=C2)NC(=O)C)CC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C27H28N2O5/c1-5-33-27(32)24-18(2)29(17-22-14-10-7-11-15-22)26(28-19(3)30)23(25(24)34-20(4)31)16-21-12-8-6-9-13-21/h6-15H,5,16-17H2,1-4H3/p+1