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

Systemtic Name: 8-(4-methoxycarbonylphenyl)imino-5-oxidanylidene-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate Openeye Name: 8-(4-methoxycarbonylphenyl)imino-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate CAS Name: 8-(4-methoxycarbonylphenyl)imino-5-oxo-6-(4-phenyl-1-piperazin-4-iumyl)-1-naphthalenolate IUPAC Name: 8-(4-methoxycarbonylphenyl)imino-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate Traditional Name: 8-(4-carbomethoxyphenyl)imino-5-keto-6-(4-phenylpiperazin-4-ium-1-yl)naphthalen-1-olate Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C28H25N3O4/c1-35-28(34)19-10-12-20(13-11-19)29-23-18-24(27(33)22-8-5-9-25(32)26(22)23)31-16-14-30(15-17-31)21-6-3-2-4-7-21/h2-13,18,32H,14-17H2,1H3