N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C18H27N3O2/c1-4-14(2)16-7-5-6-8-17(16)19-18(23)13-20-9-11-21(12-10-20)15(3)22/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)/p+1/t14-/m0/s1