N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-benzyl-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide bromide CAS Name: N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-benzyl-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-benzyl-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide bromide Formula: C26H21BrN4O MolecularWeight: 485.37514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCC3=NC4=C(C=CC5=C4N=CC=C5)C=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCC3=NC4=C(C=CC5=C4N=CC=C5)C=C3.[Br-]

InChI

InChI=1S/C26H20N4O.BrH/c31-26(22-9-5-15-30(18-22)17-19-6-2-1-3-7-19)28-16-23-13-12-21-11-10-20-8-4-14-27-24(20)25(21)29-23;/h1-15,18H,16-17H2;1H