4-chloranyl-5-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O2/c1-17-8-9-21(30-2)18(14-17)16-26-10-12-27(13-11-26)20-15-25-28(23(29)22(20)24)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/p+1