2-(phenylmethyl)-3-[(phenylmethyl)amino]-1,2,4-triazin-2-ium-5,6-dione

Systemtic Name: 2-(phenylmethyl)-3-[(phenylmethyl)amino]-1,2,4-triazin-2-ium-5,6-dione Openeye Name: 2-benzyl-3-(benzylamino)-1,2,4-triazin-2-ium-5,6-dione CAS Name: 2-(phenylmethyl)-3-[(phenylmethyl)amino]-1,2,4-triazin-2-ium-5,6-dione IUPAC Name: 2-benzyl-3-(benzylamino)-1,2,4-triazin-2-ium-5,6-dione Traditional Name: 2-benzyl-3-(benzylamino)-1,2,4-triazin-2-ium-5,6-quinone Formula: C17H15N4O2+ MolecularWeight: 307.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=O)C(=O)N=[N+]2CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=O)C(=O)N=[N+]2CC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2/c22-15-16(23)20-21(12-14-9-5-2-6-10-14)17(19-15)18-11-13-7-3-1-4-8-13/h1-10H,11-12H2/p+1