2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C26H30FN3O+2 MolecularWeight: 419.534303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O/c1-20-12-13-23(27)18-24(20)28-25(31)19-29-14-16-30(17-15-29)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,26H,14-17,19H2,1H3,(H,28,31)/p+2