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

Systemtic Name: 2-[5-chloranyl-1-(4-fluorophenyl)-1-piperidin-4-yl-indol-1-ium-3-yl]ethanenitrile Openeye Name: 2-[5-chloro-1-(4-fluorophenyl)-1-(4-piperidyl)indol-1-ium-3-yl]acetonitrile CAS Name: 2-[5-chloro-1-(4-fluorophenyl)-1-(4-piperidinyl)-3-indol-1-iumyl]acetonitrile IUPAC Name: 2-[5-chloro-1-(4-fluorophenyl)-1-piperidin-4-ylindol-1-ium-3-yl]acetonitrile Traditional Name: 2-[5-chloro-1-(4-fluorophenyl)-1-(4-piperidyl)indol-1-ium-3-yl]acetonitrile Formula: C21H20ClFN3+ MolecularWeight: 368.855003

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(C=C(C3=C2C=CC(=C3)Cl)CC#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CNCCC1[N+]2(C=C(C3=C2C=CC(=C3)Cl)CC#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20ClFN3/c22-16-1-6-21-20(13-16)15(7-10-24)14-26(21,19-8-11-25-12-9-19)18-4-2-17(23)3-5-18/h1-6,13-14,19,25H,7-9,11-12H2/q+1