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

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H21N3O2/c1-11(18-9-7-16-8-10-18)15(20)17-14-5-3-13(4-6-14)12(2)19/h3-6,11,16H,7-10H2,1-2H3,(H,17,20)/p+1/t11-/m0/s1