1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone; 2-hydroxy-2-oxoacetate Traditional Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone binoxalate Formula: C33H33N3O6 MolecularWeight: 567.63162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4)C6=CC=CC=C61.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4)C6=CC=CC=C61.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C31H31N3O2.C2H2O4/c1-2-34-29-10-6-5-9-27(29)28-19-23(11-14-30(28)34)21-32-15-17-33(18-16-32)31(35)22-36-26-13-12-24-7-3-4-8-25(24)20-26;3-1(4)2(5)6/h3-14,19-20H,2,15-18,21-22H2,1H3;(H,3,4)(H,5,6)