ethanedioate; 2-[(2-phenylazanylphenyl)amino]-2-pyridin-1-ium-1-yl-ethanal

Systemtic Name: ethanedioate; 2-[(2-phenylazanylphenyl)amino]-2-pyridin-1-ium-1-yl-ethanal Openeye Name: 2-(2-anilinoanilino)-2-pyridin-1-ium-1-yl-acetaldehyde; oxalate CAS Name: 2-(2-anilinoanilino)-2-(1-pyridin-1-iumyl)acetaldehyde; oxalate IUPAC Name: 2-(2-anilinoanilino)-2-pyridin-1-ium-1-ylacetaldehyde; oxalate Traditional Name: 2-(2-anilinoanilino)-2-pyridin-1-ium-1-yl-acetaldehyde; oxalate Formula: C40H36N6O6 MolecularWeight: 696.75044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2NC(C=O)[N+]3=CC=CC=C3.C1=CC=C(C=C1)NC2=CC=CC=C2NC(C=O)[N+]3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2NC(C=O)[N+]3=CC=CC=C3.C1=CC=C(C=C1)NC2=CC=CC=C2NC(C=O)[N+]3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C19H18N3O.C2H2O4/c2*23-15-19(22-13-7-2-8-14-22)21-18-12-6-5-11-17(18)20-16-9-3-1-4-10-16;3-1(4)2(5)6/h2*1-15,19-21H;(H,3,4)(H,5,6)/q2*+1;/p-2