2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C17H27ClN3O+ MolecularWeight: 324.86878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O/c1-3-5-14(2)19-17(22)13-20-8-10-21(11-9-20)16-7-4-6-15(18)12-16/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1