1-(1,2-diethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium

Systemtic Name: 1-(1,2-diethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium Openeye Name: 1-(1,2-diethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium CAS Name: 1-(1,2-diethyl-5-phenyl-3-pyrazolylidene)-3-methylpiperidin-1-ium IUPAC Name: 1-(1,2-diethyl-5-phenylpyrazol-3-ylidene)-3-methylpiperidin-1-ium Traditional Name: 1-(1,2-diethyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methyl-piperidin-1-ium Formula: C19H28N3+ MolecularWeight: 298.44572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=[N+]2CCCC(C2)C)N1CC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=CC(=[N+]2CCCC(C2)C)N1CC)C3=CC=CC=C3

InChI

InChI=1S/C19H28N3/c1-4-21-18(17-11-7-6-8-12-17)14-19(22(21)5-2)20-13-9-10-16(3)15-20/h6-8,11-12,14,16H,4-5,9-10,13,15H2,1-3H3/q+1