5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-chloranyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-chloranyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-2-benzyl-4-chloro-pyridazin-3-one CAS Name: 5-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-4-chloro-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-2-benzyl-4-chloropyridazin-3-one Traditional Name: 5-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-2-benzyl-4-chloro-pyridazin-3-one Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H24ClN5O/c23-21-20(14-25-28(22(21)29)16-17-4-2-1-3-5-17)27-12-10-26(11-13-27)15-18-6-8-19(24)9-7-18/h1-9,14H,10-13,15-16,24H2/p+1