(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-ethanoylphenyl)propanamide

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C19H25N3O3/c1-13(18(24)20-17-7-5-15(6-8-17)14(2)23)21-9-11-22(12-10-21)19(25)16-3-4-16/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,20,24)/p+1/t13-/m0/s1