(2R)-N-tert-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C17H27ClN3O+ MolecularWeight: 324.86878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O/c1-13(16(22)19-17(2,3)4)20-8-10-21(11-9-20)15-7-5-6-14(18)12-15/h5-7,12-13H,8-11H2,1-4H3,(H,19,22)/p+1/t13-/m1/s1