5-(4-methylphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methylphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-16-7-9-17(10-8-16)20-14-18(24-27-20)22(26)23-15-19(21-6-5-13-28-21)25-11-3-2-4-12-25/h5-10,13-14,19H,2-4,11-12,15H2,1H3,(H,23,26)/p+1/t19-/m0/s1