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

Systemtic Name: (2S)-N-(2-aminophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-aminophenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-aminophenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-aminophenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-aminophenyl)propionamide Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1N)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1N)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H22N4O2/c1-11(18-7-9-19(10-8-18)12(2)20)15(21)17-14-6-4-3-5-13(14)16/h3-6,11H,7-10,16H2,1-2H3,(H,17,21)/p+1/t11-/m0/s1