1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyridazine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyridazine-3-carboxamide Openeye Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyridazine-3-carboxamide CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-pyridazinecarboxamide IUPAC Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyridazine-3-carboxamide Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyridazine-3-carboxamide Formula: C24H27ClN5O2+ MolecularWeight: 452.95648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26ClN5O2/c1-18-17-22(31)23(27-30(18)21-9-7-19(25)8-10-21)24(32)26-11-12-28-13-15-29(16-14-28)20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3,(H,26,32)/p+1