5-(4-methylphenyl)-N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methylphenyl)-N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2R)-2-(1-piperidin-1-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-piperidin-1-ium-1-ylpropyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C)[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3O2/c1-14-6-8-16(9-7-14)18-12-17(21-24-18)19(23)20-13-15(2)22-10-4-3-5-11-22/h6-9,12,15H,3-5,10-11,13H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1