2-[6-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]-N-methyl-ethanamine

Systemtic Name: 2-[6-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]-N-methyl-ethanamine Openeye Name: 2-[6-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]-N-methyl-ethanamine CAS Name: 2-[6-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1-indol-1-iumyl]-N-methylethanamine IUPAC Name: 2-[6-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindol-1-ium-1-yl]-N-methylethanamine Traditional Name: 2-[6-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl-methyl-amine Formula: C22H26ClFN3+ MolecularWeight: 386.913343

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Descriptors Computed from Structure

Canonical SMILES:

CNCC[N+]1(C=C(C2=C1C=C(C=C2)Cl)C3CCNCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CNCC[N+]1(C=C(C2=C1C=C(C=C2)Cl)C3CCNCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26ClFN3/c1-25-12-13-27(19-5-3-18(24)4-6-19)15-21(16-8-10-26-11-9-16)20-7-2-17(23)14-22(20)27/h2-7,14-16,25-26H,8-13H2,1H3/q+1