5-bromanyl-N-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-2-furamide Formula: C16H22BrN4O4+ MolecularWeight: 414.27428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H21BrN4O4/c17-13-4-3-12(25-13)16(24)18-9-15(23)21-7-5-20(6-8-21)10-14(22)19-11-1-2-11/h3-4,11H,1-2,5-10H2,(H,18,24)(H,19,22)/p+1