(2R)-N-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-N-tert-butyl-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C24H33FN3O+ MolecularWeight: 398.536723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H32FN3O/c1-19(23(29)28(24(2,3)4)18-20-8-6-5-7-9-20)26-14-16-27(17-15-26)22-12-10-21(25)11-13-22/h5-13,19H,14-18H2,1-4H3/p+1/t19-/m1/s1