1,2-dimethyl-N-pentan-3-yl-5-phenyl-pyrazol-2-ium-3-amine iodide

Systemtic Name: 1,2-dimethyl-N-pentan-3-yl-5-phenyl-pyrazol-2-ium-3-amine iodide Openeye Name: N-(1-ethylpropyl)-1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-amine iodide CAS Name: 1,2-dimethyl-N-pentan-3-yl-5-phenyl-3-pyrazol-2-iumamine iodide IUPAC Name: 1,2-dimethyl-N-pentan-3-yl-5-phenylpyrazol-2-ium-3-amine iodide Traditional Name: (1,2-dimethyl-5-phenyl-pyrazol-2-ium-3-yl)-(1-ethylpropyl)amine iodide Formula: C16H24IN3 MolecularWeight: 385.28633

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=[N+](N(C(=C1)C2=CC=CC=C2)C)C.[I-]

Isomeric SMILES

CCC(CC)NC1=[N+](N(C(=C1)C2=CC=CC=C2)C)C.[I-]

InChI

InChI=1S/C16H23N3.HI/c1-5-14(6-2)17-16-12-15(18(3)19(16)4)13-10-8-7-9-11-13;/h7-12,14H,5-6H2,1-4H3;1H