2-(4-oxidanylidenecinnolin-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-oxidanylidenecinnolin-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: 2-(4-oxo-1-cinnolinyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-ketocinnolin-1-yl)acetamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C27H27N5O2/c33-26-18-28-32(25-9-5-4-8-24(25)26)20-27(34)29-22-10-12-23(13-11-22)31-16-14-30(15-17-31)19-21-6-2-1-3-7-21/h1-13,18H,14-17,19-20H2,(H,29,34)/p+1