5-bromanyl-N-[2-oxidanylidene-2-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]amino]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]amino]ethyl]furan-2-carboxamide Openeye Name: N-[2-[[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]amino]-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[2-[[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-2-oxoethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[2-[[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]amino]-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-[[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]amino]-2-keto-ethyl]-5-bromo-2-furamide Formula: C20H24BrN4O4+ MolecularWeight: 464.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC=C(O2)Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC=C(O2)Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN4O4/c21-17-7-6-16(29-17)20(28)22-12-18(26)23-15-8-10-25(11-9-15)13-19(27)24-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,22,28)(H,23,26)(H,24,27)/p+1