2-(phenoxymethyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(phenoxymethyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-2-(phenoxymethyl)oxazole-4-carboxamide CAS Name: 2-(phenoxymethyl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]-4-oxazolecarboxamide IUPAC Name: 2-(phenoxymethyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-2-(phenoxymethyl)oxazole-4-carboxamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNC(=O)C2=COC(=N2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNC(=O)C2=COC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3/c1-15(2)23-10-8-16(9-11-23)12-21-20(24)18-13-26-19(22-18)14-25-17-6-4-3-5-7-17/h3-7,13,15-16H,8-12,14H2,1-2H3,(H,21,24)/p+1