N-(4-methylphenyl)-2-propyl-1H-1,2,3-benzotriazin-1-ium-4-amine iodide

Systemtic Name: N-(4-methylphenyl)-2-propyl-1H-1,2,3-benzotriazin-1-ium-4-amine iodide Openeye Name: 2-propyl-N-(p-tolyl)-1H-1,2,3-benzotriazin-1-ium-4-amine iodide CAS Name: N-(4-methylphenyl)-2-propyl-1H-1,2,3-benzotriazin-1-ium-4-amine iodide IUPAC Name: N-(4-methylphenyl)-2-propyl-1H-1,2,3-benzotriazin-1-ium-4-amine iodide Traditional Name: (2-propyl-1H-1,2,3-benzotriazin-1-ium-4-yl)-(p-tolyl)amine iodide Formula: C17H21IN4 MolecularWeight: 408.27991

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1[NH2+]C2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CCCN1[NH2+]C2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C.[I-]

InChI

InChI=1S/C17H20N4.HI/c1-3-12-21-19-16-7-5-4-6-15(16)17(20-21)18-14-10-8-13(2)9-11-14;/h4-11,19H,3,12H2,1-2H3,(H,18,20);1H