1-(2-chlorophenyl)-6-methyl-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 1-(2-chlorophenyl)-6-methyl-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(2-chlorophenyl)-6-methyl-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one CAS Name: 1-(2-chlorophenyl)-6-methyl-3-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-4-pyridazinone IUPAC Name: 1-(2-chlorophenyl)-6-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 1-(2-chlorophenyl)-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one Formula: C22H27ClN5O3+ MolecularWeight: 444.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H26ClN5O3/c1-16-14-19(29)21(24-28(16)18-7-3-2-6-17(18)23)22(31)27-12-10-25(11-13-27)15-20(30)26-8-4-5-9-26/h2-3,6-7,14H,4-5,8-13,15H2,1H3/p+1