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

Systemtic Name: 1-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]-3-hexadecanoyl-imidazolidin-2-one Openeye Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-3-hexadecanoyl-imidazolidin-2-one CAS Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1-indol-1-iumyl]ethyl]-3-(1-oxohexadecyl)-2-imidazolidinone IUPAC Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindol-1-ium-1-yl]ethyl]-3-hexadecanoylimidazolidin-2-one Traditional Name: 1-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-3-hexadecanoyl-2-imidazolidinone Formula: C40H57ClFN4O2+ MolecularWeight: 680.357583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H57ClFN4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-39(47)45-27-26-44(40(45)48)28-29-46(35-19-17-34(42)18-20-35)31-37(32-22-24-43-25-23-32)36-30-33(41)16-21-38(36)46/h16-21,30-32,43H,2-15,22-29H2,1H3/q+1