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

Systemtic Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-butan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-sec-butyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methyl]-N-butan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-butan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-sec-butyl-piperidin-1-ium-4-carboxamide Formula: C21H29BrN3O2+ MolecularWeight: 435.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCC(C)NC(=O)C1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C21H28BrN3O2/c1-4-14(2)23-20(26)16-8-10-25(11-9-16)13-19-15(3)27-21(24-19)17-6-5-7-18(22)12-17/h5-7,12,14,16H,4,8-11,13H2,1-3H3,(H,23,26)/p+1