(2S)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCN(CC1)C(=O)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2/c1-5-11-21-18(24)16(2)22-12-14-23(15-13-22)19(25)20(3,4)17-9-7-6-8-10-17/h6-10,16H,5,11-15H2,1-4H3,(H,21,24)/p+1/t16-/m0/s1