1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]naphthalen-2-olate

Systemtic Name: 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]naphthalen-2-olate Openeye Name: 1-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]naphthalen-2-olate CAS Name: 1-[(E)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]iminomethyl]-2-naphthalenolate IUPAC Name: 1-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]naphthalen-2-olate Traditional Name: 1-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]naphthalen-2-olate Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=C(C=CC5=CC=CC=C54)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C/C4=C(C=CC5=CC=CC=C54)[O-]

InChI

InChI=1S/C26H25N3O/c30-26-13-12-21-7-2-4-11-24(21)25(26)18-27-29-16-14-28(15-17-29)19-22-9-5-8-20-6-1-3-10-23(20)22/h1-13,18,30H,14-17,19H2/b27-18+