6-methyl-1-phenyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-phenyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1-phenyl-4-pyridazinone IUPAC Name: 6-methyl-1-phenyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H30N4O2/c1-19(2)22-11-9-21(10-12-22)18-28-13-15-29(16-14-28)26(32)25-24(31)17-20(3)30(27-25)23-7-5-4-6-8-23/h4-12,17,19H,13-16,18H2,1-3H3/p+1