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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-3-ol Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-3-ol CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-piperidin-1-iumol IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-3-ol Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-3-ol Formula: C16H22N3O+ MolecularWeight: 272.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCCC(C2)O)N1C)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=[N+]2CCCC(C2)O)N1C)C3=CC=CC=C3

InChI

InChI=1S/C16H22N3O/c1-17-15(13-7-4-3-5-8-13)11-16(18(17)2)19-10-6-9-14(20)12-19/h3-5,7-8,11,14,20H,6,9-10,12H2,1-2H3/q+1