(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-isopropyl-propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-isopropyl-propionamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O/c1-12(2)18-16(21)13(3)19-7-9-20(10-8-19)15-6-4-5-14(17)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,18,21)/p+1/t13-/m0/s1