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

Systemtic Name: 1-[2-[5-chloranyl-3-(4-fluorophenyl)-1-piperidin-4-yl-indol-1-ium-1-yl]ethyl]-3-methyl-imidazolidin-2-one Openeye Name: 1-[2-[5-chloro-3-(4-fluorophenyl)-1-(4-piperidyl)indol-1-ium-1-yl]ethyl]-3-methyl-imidazolidin-2-one CAS Name: 1-[2-[5-chloro-3-(4-fluorophenyl)-1-(4-piperidinyl)-1-indol-1-iumyl]ethyl]-3-methyl-2-imidazolidinone IUPAC Name: 1-[2-[5-chloro-3-(4-fluorophenyl)-1-piperidin-4-ylindol-1-ium-1-yl]ethyl]-3-methylimidazolidin-2-one Traditional Name: 1-[2-[5-chloro-3-(4-fluorophenyl)-1-(4-piperidyl)indol-1-ium-1-yl]ethyl]-3-methyl-2-imidazolidinone Formula: C25H29ClFN4O+ MolecularWeight: 455.975363

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C1=O)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F)C5CCNCC5

Isomeric SMILES

CN1CCN(C1=O)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F)C5CCNCC5

InChI

InChI=1S/C25H29ClFN4O/c1-29-12-13-30(25(29)32)14-15-31(21-8-10-28-11-9-21)17-23(18-2-5-20(27)6-3-18)22-16-19(26)4-7-24(22)31/h2-7,16-17,21,28H,8-15H2,1H3/q+1