5-chloranyl-4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]amino]-1H-pyridazin-6-one Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O/c18-16-15(11-20-21-17(16)23)19-10-13-6-2-3-7-14(13)12-22-8-4-1-5-9-22/h2-3,6-7,11H,1,4-5,8-10,12H2,(H2,19,21,23)/p+1