1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-3-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]propan-1-one Formula: C23H29FN3O+ MolecularWeight: 382.494263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C23H28FN3O/c24-20-8-10-21(11-9-20)25-15-17-27(18-16-25)23(28)12-14-26-13-4-7-22(26)19-5-2-1-3-6-19/h1-3,5-6,8-11,22H,4,7,12-18H2/p+1/t22-/m0/s1