3-[3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propionitrile Formula: C23H24FN4O+ MolecularWeight: 391.461263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O/c24-18-6-8-19(9-7-18)27-14-12-26(13-15-27)17-23(29)21-16-28(11-3-10-25)22-5-2-1-4-20(21)22/h1-2,4-9,16H,3,11-15,17H2/p+1