(2S)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2S)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidino-ethanone Formula: C24H31FN3O2+ MolecularWeight: 412.520243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCCC4)F

InChI

InChI=1S/C24H30FN3O2/c1-30-22-10-9-19(17-21(22)25)18-26-13-15-27(16-14-26)23(20-7-3-2-4-8-20)24(29)28-11-5-6-12-28/h2-4,7-10,17,23H,5-6,11-16,18H2,1H3/p+1/t23-/m0/s1