5-oxidanylidene-8-phenylimino-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalen-1-olate

Systemtic Name: 5-oxidanylidene-8-phenylimino-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalen-1-olate Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-oxo-8-phenylimino-naphthalen-1-olate CAS Name: 5-oxo-8-phenylimino-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-naphthalenolate IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-oxo-8-phenyliminonaphthalen-1-olate Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-keto-8-phenylimino-naphthalen-1-olate Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=NC4=CC=CC=C4)C5=C(C3=O)C=CC=C5[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=NC4=CC=CC=C4)C5=C(C3=O)C=CC=C5[O-]

InChI

InChI=1S/C27H25N3O2/c31-25-13-7-12-22-26(25)23(28-21-10-5-2-6-11-21)18-24(27(22)32)30-16-14-29(15-17-30)19-20-8-3-1-4-9-20/h1-13,18,31H,14-17,19H2