4-chloranyl-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amino]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]amino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]amino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amino]-2-phenyl-pyridazin-3-one Formula: C21H25ClN5OS+ MolecularWeight: 430.9741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H24ClN5OS/c1-25-9-11-26(12-10-25)18(19-8-5-13-29-19)15-23-17-14-24-27(21(28)20(17)22)16-6-3-2-4-7-16/h2-8,13-14,18,23H,9-12,15H2,1H3/p+1/t18-/m1/s1