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

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H22ClN3O2/c1-3-18-15(21)12(2)19-8-10-20(11-9-19)16(22)13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1