1-(piperidin-1-ylmethyl)-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-6-one

Systemtic Name: 1-(piperidin-1-ylmethyl)-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-6-one Openeye Name: 3-(4-isopropylphenyl)-1-(1-piperidylmethyl)-3H-pyridazin-1-ium-6-one CAS Name: 1-(1-piperidinylmethyl)-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-6-one IUPAC Name: 1-(piperidin-1-ylmethyl)-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-6-one Traditional Name: 3-p-cumenyl-1-(piperidinomethyl)-3H-pyridazin-1-ium-6-one Formula: C19H26N3O+ MolecularWeight: 312.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)CN3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)CN3CCCCC3

InChI

InChI=1S/C19H26N3O/c1-15(2)16-6-8-17(9-7-16)18-10-11-19(23)22(20-18)14-21-12-4-3-5-13-21/h6-11,15,18H,3-5,12-14H2,1-2H3/q+1