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

Systemtic Name: 1-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]-3-octanoyl-imidazolidin-2-one Openeye Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-3-octanoyl-imidazolidin-2-one CAS Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1-indol-1-iumyl]ethyl]-3-(1-oxooctyl)-2-imidazolidinone IUPAC Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindol-1-ium-1-yl]ethyl]-3-octanoylimidazolidin-2-one Traditional Name: 1-caprylyl-3-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-2-imidazolidinone Formula: C32H41ClFN4O2+ MolecularWeight: 568.144943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41ClFN4O2/c1-2-3-4-5-6-7-31(39)37-19-18-36(32(37)40)20-21-38(27-11-9-26(34)10-12-27)23-29(24-14-16-35-17-15-24)28-22-25(33)8-13-30(28)38/h8-13,22-24,35H,2-7,14-21H2,1H3/q+1