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

Systemtic Name: (2S)-N-[2-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[2-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[2-(2,4-dichlorophenyl)ethyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-(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(C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)[NH+]2CCNCC2

InChI

InChI=1S/C15H21Cl2N3O/c1-11(20-8-6-18-7-9-20)15(21)19-5-4-12-2-3-13(16)10-14(12)17/h2-3,10-11,18H,4-9H2,1H3,(H,19,21)/p+1/t11-/m0/s1