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

Systemtic Name: N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-benzyl-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide CAS Name: N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-benzyl-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Formula: C26H21N4O+ MolecularWeight: 405.47114

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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

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

InChI

InChI=1S/C26H20N4O/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/p+1