2-methyl-5-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[4-(2-pyridyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[4-(2-pyridinyl)phenyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[4-(2-pyridyl)benzyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O/c1-24-21(27)14-19(15-23-24)26-12-10-25(11-13-26)16-17-5-7-18(8-6-17)20-4-2-3-9-22-20/h2-9,14-15H,10-13,16H2,1H3/p+1