5-bromanyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-coumarilamide Formula: C20H22BrN2O4+ MolecularWeight: 434.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=CO3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCOCC4

InChI

InChI=1S/C20H21BrN2O4/c1-13-15-11-14(21)4-5-17(15)27-19(13)20(24)22-12-16(18-3-2-8-26-18)23-6-9-25-10-7-23/h2-5,8,11,16H,6-7,9-10,12H2,1H3,(H,22,24)/p+1/t16-/m1/s1