1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-propyl-piperidin-1-ium iodide

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-propyl-piperidin-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-propyl-piperidin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-2-propylpiperidin-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-2-propylpiperidin-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-2-propyl-piperidin-1-ium iodide Formula: C19H28IN3 MolecularWeight: 425.35019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCC1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H28N3.HI/c1-4-10-17-13-8-9-14-22(17)19-15-18(20(2)21(19)3)16-11-6-5-7-12-16;/h5-7,11-12,15,17H,4,8-10,13-14H2,1-3H3;1H/q+1;/p-1