(2S)-N-tert-butyl-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-tert-butyl-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-tert-butyl-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]propionamide Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O2/c1-13(16(23)20-18(2,3)4)21-9-11-22(12-10-21)17(24)14-5-7-15(19)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,20,23)/p+1/t13-/m0/s1