methyl 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 4-[(E)-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoic acid methyl ester Formula: C26H26N3O2+ MolecularWeight: 412.50354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C26H25N3O2/c1-31-26(30)20-12-10-19(11-13-20)18-27-29-16-14-28(15-17-29)25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-13,18,25H,14-17H2,1H3/p+1/b27-18+