4-[anthracen-9-yl(pyridin-1-ium-1-yl)methyl]-2-methyl-1,2,4-triazol-4-ium-3-amine

Systemtic Name: 4-[anthracen-9-yl(pyridin-1-ium-1-yl)methyl]-2-methyl-1,2,4-triazol-4-ium-3-amine Openeye Name: 4-[9-anthryl(pyridin-1-ium-1-yl)methyl]-2-methyl-1,2,4-triazol-4-ium-3-amine CAS Name: 4-[9-anthracenyl(1-pyridin-1-iumyl)methyl]-2-methyl-1,2,4-triazol-4-ium-3-amine IUPAC Name: 4-[anthracen-9-yl(pyridin-1-ium-1-yl)methyl]-2-methyl-1,2,4-triazol-4-ium-3-amine Traditional Name: [4-[9-anthryl(pyridin-1-ium-1-yl)methyl]-2-methyl-1,2,4-triazol-4-ium-3-yl]amine Formula: C23H21N5+2 MolecularWeight: 367.44634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C=N1)C(C2=C3C=CC=CC3=CC4=CC=CC=C42)[N+]5=CC=CC=C5)N

Isomeric SMILES

CN1C(=[N+](C=N1)C(C2=C3C=CC=CC3=CC4=CC=CC=C42)[N+]5=CC=CC=C5)N

InChI

InChI=1S/C23H20N5/c1-26-23(24)28(16-25-26)22(27-13-7-2-8-14-27)21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h2-16,22,24H,1H3/q+1/p+1