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

Systemtic Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-cyclopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methyl]-N-cyclopentyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]-N-cyclopentyl-piperidin-1-ium-4-carboxamide Formula: C22H29BrN3O2+ MolecularWeight: 447.38856

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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)NC4CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)Br)C[NH+]3CCC(CC3)C(=O)NC4CCCC4

InChI

InChI=1S/C22H28BrN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-26-11-9-16(10-12-26)21(27)24-19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14H2,1H3,(H,24,27)/p+1