1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methyl]-N-(2-methoxyethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Formula: C20H27BrN3O3+ MolecularWeight: 437.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)Br)C[NH+]3CCC(CC3)C(=O)NCCOC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)Br)C[NH+]3CCC(CC3)C(=O)NCCOC

InChI

InChI=1S/C20H26BrN3O3/c1-14-18(23-20(27-14)16-4-3-5-17(21)12-16)13-24-9-6-15(7-10-24)19(25)22-8-11-26-2/h3-5,12,15H,6-11,13H2,1-2H3,(H,22,25)/p+1