6-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[oxo-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]methyl]-3-pyridazinolate IUPAC Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]pyridazin-3-olate Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C22H23N5O2/c28-21-11-10-20(24-25-21)22(29)23-18-6-8-19(9-7-18)27-14-12-26(13-15-27)16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,23,29)(H,25,28)