4-chloranyl-2-phenyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]amino]pyridazin-3-one Formula: C23H26ClN4O+ MolecularWeight: 409.93174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O/c24-22-21(16-26-28(23(22)29)20-11-3-1-4-12-20)25-15-18-9-5-6-10-19(18)17-27-13-7-2-8-14-27/h1,3-6,9-12,16,25H,2,7-8,13-15,17H2/p+1