6-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1H-pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1H-pyridazine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: 6-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1H-pyridazine-3-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-keto-1H-pyridazine-3-carboxamide Formula: C22H24N5O2+ MolecularWeight: 390.45826

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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=NNC(=O)C=C4

Isomeric SMILES

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

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)/p+1