N-(2-ethyl-6-methyl-phenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(9H-fluoren-9-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C

InChI

InChI=1S/C28H31N3O/c1-3-21-10-8-9-20(2)27(21)29-26(32)19-30-15-17-31(18-16-30)28-24-13-6-4-11-22(24)23-12-5-7-14-25(23)28/h4-14,28H,3,15-19H2,1-2H3,(H,29,32)/p+1