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

Systemtic Name: 4-chloranyl-2-ethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-2-ethyl-pyridazin-3-one CAS Name: 4-chloro-2-ethyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-2-ethylpyridazin-3-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-2-ethyl-pyridazin-3-one Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C=N1)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCN1C(=O)C(=C(C=N1)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H21ClN4O/c1-2-22-17(23)16(18)15(12-19-22)21-10-8-20(9-11-21)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3/p+1