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

Systemtic Name: 5-bromanyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]furan-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-bromo-furan-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-bromo-2-furamide Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3/c19-16-7-6-15(25-16)18(24)21-14-8-10-22(11-9-14)12-17(23)20-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,23)(H,21,24)/p+1