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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium perchlorate Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium perchlorate CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)piperidin-1-ium perchlorate IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium perchlorate Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium perchlorate Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCCCC2)N1C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN1C(=CC(=[N+]2CCCCC2)N1C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H22N3.ClHO4/c1-17-15(14-9-5-3-6-10-14)13-16(18(17)2)19-11-7-4-8-12-19;2-1(3,4)5/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1