sodium 2-[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-propanoate

Systemtic Name: sodium 2-[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-propanoate Openeye Name: sodium 2-[6-[3-(4-benzhydryloxy-1-piperidyl)propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-propanoate CAS Name: sodium 2-[6-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propylamino]-2-imidazo[1,2-b]pyridazinyl]-2-methylpropanoate IUPAC Name: sodium 2-[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoate Traditional Name: sodium 2-[6-[3-(4-benzhydryloxypiperidino)propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-propionate Formula: C31H36N5NaO3 MolecularWeight: 549.63901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN2C(=N1)C=CC(=N2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C1=CN2C(=N1)C=CC(=N2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-].[Na+]

InChI

InChI=1S/C31H37N5O3.Na/c1-31(2,30(37)38)26-22-36-28(33-26)15-14-27(34-36)32-18-9-19-35-20-16-25(17-21-35)39-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24;/h3-8,10-15,22,25,29H,9,16-21H2,1-2H3,(H,32,34)(H,37,38);/q;+1/p-1