1-(4-fluorophenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]cyclopropane-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)cyclopropanecarboxamide CAS Name: 1-(4-fluorophenyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1-cyclopropanecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)cyclopropanecarboxamide Formula: C27H29FN3O+ MolecularWeight: 430.537063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1(C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28FN3O/c28-23-8-6-22(7-9-23)27(14-15-27)26(32)29-24-10-12-25(13-11-24)31-18-16-30(17-19-31)20-21-4-2-1-3-5-21/h1-13H,14-20H2,(H,29,32)/p+1