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

Systemtic Name: (2R)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H31FN3O+ MolecularWeight: 348.478043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H30FN3O/c1-16(20(25)22-15-17-7-3-2-4-8-17)23-11-13-24(14-12-23)19-10-6-5-9-18(19)21/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,25)/p+1/t16-/m1/s1