(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-p-cumenyl-propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C(=O)C

InChI

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