(2S)-N-(4-ethylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-ethylphenyl)propionamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-3-18-9-11-20(12-10-18)23-21(26)17(2)24-13-15-25(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1