(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H30FN4O2+ MolecularWeight: 377.476203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H29FN4O2/c1-15(19(26)23-20(27)22-17-5-3-2-4-6-17)24-11-13-25(14-12-24)18-9-7-16(21)8-10-18/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23,26,27)/p+1/t15-/m1/s1