5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(quinolin-2-ylmethyl)pyridazin-3-one

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(quinolin-2-ylmethyl)pyridazin-3-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-quinolylmethyl)pyridazin-3-one CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-quinolinylmethyl)-3-pyridazinone IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(quinolin-2-ylmethyl)pyridazin-3-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-quinolylmethyl)pyridazin-3-one Formula: C20H24N5O+ MolecularWeight: 350.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H23N5O/c1-23-9-4-10-24(12-11-23)18-13-20(26)25(21-14-18)15-17-8-7-16-5-2-3-6-19(16)22-17/h2-3,5-8,13-14H,4,9-12,15H2,1H3/p+1