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

Systemtic Name: 1-butanoyl-3-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]imidazolidin-2-one Openeye Name: 1-butanoyl-3-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]imidazolidin-2-one CAS Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1-indol-1-iumyl]ethyl]-3-(1-oxobutyl)-2-imidazolidinone IUPAC Name: 1-butanoyl-3-[2-[5-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindol-1-ium-1-yl]ethyl]imidazolidin-2-one Traditional Name: 1-butyryl-3-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-2-imidazolidinone Formula: C28H33ClFN4O2+ MolecularWeight: 512.038623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(C1=O)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4CCNCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC(=O)N1CCN(C1=O)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4CCNCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H33ClFN4O2/c1-2-3-27(35)33-15-14-32(28(33)36)16-17-34(23-7-5-22(30)6-8-23)19-25(20-10-12-31-13-11-20)24-18-21(29)4-9-26(24)34/h4-9,18-20,31H,2-3,10-17H2,1H3/q+1