8-(4-butoxycarbonylphenyl)imino-5-oxidanylidene-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate

Systemtic Name: 8-(4-butoxycarbonylphenyl)imino-5-oxidanylidene-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate Openeye Name: 8-(4-butoxycarbonylphenyl)imino-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate CAS Name: 8-[4-[butoxy(oxo)methyl]phenyl]imino-5-oxo-6-(4-phenyl-1-piperazin-4-iumyl)-1-naphthalenolate IUPAC Name: 8-(4-butoxycarbonylphenyl)imino-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate Traditional Name: 8-(4-butoxycarbonylphenyl)imino-5-keto-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=C2C(=CC=C3)[O-])N4CC[NH+](CC4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=C2C(=CC=C3)[O-])N4CC[NH+](CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O4/c1-2-3-20-38-31(37)22-12-14-23(15-13-22)32-26-21-27(30(36)25-10-7-11-28(35)29(25)26)34-18-16-33(17-19-34)24-8-5-4-6-9-24/h4-15,21,35H,2-3,16-20H2,1H3