1-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]pyrrolidin-2-one CAS Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1-indol-1-iumyl]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindol-1-ium-1-yl]ethyl]pyrrolidin-2-one Traditional Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-2-pyrrolidone Formula: C25H28ClFN3O+ MolecularWeight: 440.960723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4CCNCC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC(=O)N(C1)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4CCNCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H28ClFN3O/c26-19-3-8-24-22(16-19)23(18-9-11-28-12-10-18)17-30(24,21-6-4-20(27)5-7-21)15-14-29-13-1-2-25(29)31/h3-8,16-18,28H,1-2,9-15H2/q+1