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

Systemtic Name: (2S)-N-[(2S)-2-phenylbutyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]propionamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-3-20(21-10-6-4-7-11-21)18-25-23(28)19(2)26-14-16-27(17-15-26)24(29)22-12-8-5-9-13-22/h4-13,19-20H,3,14-18H2,1-2H3,(H,25,28)/p+1/t19-,20+/m0/s1