(2S)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-propionamide Formula: C14H24BrN3OS+2 MolecularWeight: 362.32886

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C14H22BrN3OS/c1-3-16-14(19)11(2)18-8-6-17(7-9-18)10-12-4-5-13(15)20-12/h4-5,11H,3,6-10H2,1-2H3,(H,16,19)/p+2/t11-/m0/s1