ethyl 2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium-3-carboxylate bromate

Systemtic Name: ethyl 2,9-bis(phenylmethyl)pyrido[3,4-b]indol-2-ium-3-carboxylate bromate Openeye Name: ethyl 2,9-dibenzylpyrido[3,4-b]indol-2-ium-3-carboxylate bromate CAS Name: 2,9-bis(phenylmethyl)-3-pyrido[3,4-b]indol-2-iumcarboxylic acid ethyl ester bromate IUPAC Name: ethyl 2,9-dibenzylpyrido[3,4-b]indol-2-ium-3-carboxylate bromate Traditional Name: 2,9-dibenzyl-$b-carbolin-2-ium-3-carboxylic acid ethyl ester bromate Formula: C28H25BrN2O5 MolecularWeight: 549.4125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C=C2C(=C1)C3=CC=CC=C3N2CC4=CC=CC=C4)CC5=CC=CC=C5.[O-]Br(=O)=O

Isomeric SMILES

CCOC(=O)C1=[N+](C=C2C(=C1)C3=CC=CC=C3N2CC4=CC=CC=C4)CC5=CC=CC=C5.[O-]Br(=O)=O

InChI

InChI=1S/C28H25N2O2.BrHO3/c1-2-32-28(31)26-17-24-23-15-9-10-16-25(23)30(19-22-13-7-4-8-14-22)27(24)20-29(26)18-21-11-5-3-6-12-21;2-1(3)4/h3-17,20H,2,18-19H2,1H3;(H,2,3,4)/q+1;/p-1