(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C17H27N3O/c1-5-18-17(21)15(4)19-9-11-20(12-10-19)16-8-6-7-13(2)14(16)3/h6-8,15H,5,9-12H2,1-4H3,(H,18,21)/p+1/t15-/m0/s1