(2S)-2-(4-fluorophenyl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-2-(4-cumoylpiperazin-1-ium-1-yl)-2-(4-fluorophenyl)acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@@H](C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C22H26FN3O2/c1-15(2)16-3-5-18(6-4-16)22(28)26-13-11-25(12-14-26)20(21(24)27)17-7-9-19(23)10-8-17/h3-10,15,20H,11-14H2,1-2H3,(H2,24,27)/p+1/t20-/m0/s1