4-chloranyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-propan-2-yl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-propan-2-yl-pyridazin-3-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-isopropyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propan-2-yl-3-pyridazinone IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-propan-2-ylpyridazin-3-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-isopropyl-pyridazin-3-one Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(C=N1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=C(C=N1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4O/c1-18(2)29-24(30)22(25)21(17-26-29)27-13-15-28(16-14-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,23H,13-16H2,1-2H3/p+1