5-bromanyl-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-bromo-3-methyl-coumarilamide Formula: C22H24BrN2O2+ MolecularWeight: 428.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23BrN2O2/c1-15-19-13-17(23)7-8-20(19)27-21(15)22(26)24-18-9-11-25(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,24,26)/p+1