4-[[6-azanylidene-5-(4-chlorophenyl)-1-methyl-5H-1,2,4-triazin-1-ium-3-yl]amino]benzoic acid

Systemtic Name: 4-[[6-azanylidene-5-(4-chlorophenyl)-1-methyl-5H-1,2,4-triazin-1-ium-3-yl]amino]benzoic acid Openeye Name: 4-[[5-(4-chlorophenyl)-6-imino-1-methyl-5H-1,2,4-triazin-1-ium-3-yl]amino]benzoic acid CAS Name: 4-[[5-(4-chlorophenyl)-6-imino-1-methyl-5H-1,2,4-triazin-1-ium-3-yl]amino]benzoic acid IUPAC Name: 4-[[5-(4-chlorophenyl)-6-imino-1-methyl-5H-1,2,4-triazin-1-ium-3-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-chlorophenyl)-6-imino-1-methyl-5H-1,2,4-triazin-1-ium-3-yl]amino]benzoic acid Formula: C17H15ClN5O2+ MolecularWeight: 356.7863

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=NC(C1=N)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[N+]1=NC(=NC(C1=N)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14ClN5O2/c1-23-15(19)14(10-2-6-12(18)7-3-10)21-17(22-23)20-13-8-4-11(5-9-13)16(24)25/h2-9,14,19H,1H3,(H-,20,21,24,25)/p+1