1,2-dimethyl-5-phenyl-N-(phenylmethyl)pyrazol-2-ium-3-amine iodide

Systemtic Name: 1,2-dimethyl-5-phenyl-N-(phenylmethyl)pyrazol-2-ium-3-amine iodide Openeye Name: N-benzyl-1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-amine iodide CAS Name: 1,2-dimethyl-5-phenyl-N-(phenylmethyl)-3-pyrazol-2-iumamine iodide IUPAC Name: N-benzyl-1,2-dimethyl-5-phenylpyrazol-2-ium-3-amine iodide Traditional Name: benzyl-(1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)amine iodide Formula: C18H20IN3 MolecularWeight: 405.27597

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)NCC2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)NCC2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H19N3.HI/c1-20-17(16-11-7-4-8-12-16)13-18(21(20)2)19-14-15-9-5-3-6-10-15;/h3-13H,14H2,1-2H3;1H