[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[3-(4-fluorophenyl)-4-imidazolyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone Formula: C27H26FN4O+ MolecularWeight: 441.519943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CN4C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CN4C5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O/c28-23-11-13-24(14-12-23)32-20-29-19-25(32)27(33)31-17-15-30(16-18-31)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19-20,26H,15-18H2/p+1