2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-2-methyl-1-p-cumenyl-propyl]acetamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H33N3O2/c1-15(2)18-6-8-19(9-7-18)21(16(3)4)22-20(26)14-23-10-12-24(13-11-23)17(5)25/h6-9,15-16,21H,10-14H2,1-5H3,(H,22,26)/p+1/t21-/m0/s1