1-[(4-methylphenyl)-pyridin-1-ium-1-yl-methyl]benzotriazole chloride

Systemtic Name: 1-[(4-methylphenyl)-pyridin-1-ium-1-yl-methyl]benzotriazole chloride Openeye Name: 1-[p-tolyl(pyridin-1-ium-1-yl)methyl]benzotriazole chloride CAS Name: 1-[(4-methylphenyl)-(1-pyridin-1-iumyl)methyl]benzotriazole chloride IUPAC Name: 1-[(4-methylphenyl)-pyridin-1-ium-1-ylmethyl]benzotriazole chloride Traditional Name: 1-[p-tolyl(pyridin-1-ium-1-yl)methyl]benzotriazole chloride Formula: C19H17ClN4 MolecularWeight: 336.81808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(N2C3=CC=CC=C3N=N2)[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(N2C3=CC=CC=C3N=N2)[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C19H17N4.ClH/c1-15-9-11-16(12-10-15)19(22-13-5-2-6-14-22)23-18-8-4-3-7-17(18)20-21-23;/h2-14,19H,1H3;1H/q+1;/p-1