3-(2-chlorophenyl)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)isoxazole-4-carboxamide Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C18H22ClN3O2/c1-13-16(17(21-24-13)14-7-3-4-8-15(14)19)18(23)20-9-12-22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,23)/p+1