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

Systemtic Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-methoxypropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-(3-methoxypropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methyl]-N-(3-methoxypropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-methoxypropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-(3-methoxypropyl)piperidin-1-ium-4-carboxamide Formula: C21H29BrN3O3+ MolecularWeight: 451.37726

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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)NCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O3/c1-15-19(24-21(28-15)17-5-3-6-18(22)13-17)14-25-10-7-16(8-11-25)20(26)23-9-4-12-27-2/h3,5-6,13,16H,4,7-12,14H2,1-2H3,(H,23,26)/p+1