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

Systemtic Name: (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C15H22Cl2N3O+ MolecularWeight: 331.26068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C(C)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)[C@H](C)[NH+]2CCNCC2

InChI

InChI=1S/C15H21Cl2N3O/c1-10(13-4-3-12(16)9-14(13)17)19-15(21)11(2)20-7-5-18-6-8-20/h3-4,9-11,18H,5-8H2,1-2H3,(H,19,21)/p+1/t10-,11-/m0/s1