2-[(S)-(2-fluorophenyl)-piperazin-4-ium-1-yl-methyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[(S)-(2-fluorophenyl)-piperazin-4-ium-1-yl-methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[(S)-(2-fluorophenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole CAS Name: 2-[(S)-(2-fluorophenyl)-(1-piperazin-4-iumyl)methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(S)-(2-fluorophenyl)-piperazin-4-ium-1-ylmethyl]benzimidazole Traditional Name: 1-benzyl-2-[(S)-(2-fluorophenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole Formula: C25H26FN4+ MolecularWeight: 401.499143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=CC=C2F)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC=CC=C2F)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C25H25FN4/c26-21-11-5-4-10-20(21)24(29-16-14-27-15-17-29)25-28-22-12-6-7-13-23(22)30(25)18-19-8-2-1-3-9-19/h1-13,24,27H,14-18H2/p+1/t24-/m0/s1