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

Systemtic Name: 4-chloranyl-2-phenyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridazin-3-one Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c23-21-20(15-25-27(22(21)28)19-6-2-1-3-7-19)24-14-17-8-10-18(11-9-17)16-26-12-4-5-13-26/h1-3,6-11,15,24H,4-5,12-14,16H2/p+1