N-[(5-bromanylthiophen-2-yl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)-N-prop-2-enylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C14H19BrN3O2S+ MolecularWeight: 373.28856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H18BrN3O2S/c1-2-6-18(8-11-3-4-12(15)21-11)14(20)10-17-7-5-16-13(19)9-17/h2-4H,1,5-10H2,(H,16,19)/p+1