5-(4-chlorophenyl)-4-methyl-3-(1-phenethylpiperidin-1-ium-1-yl)-1,2-oxazole

Systemtic Name: 5-(4-chlorophenyl)-4-methyl-3-(1-phenethylpiperidin-1-ium-1-yl)-1,2-oxazole Openeye Name: 5-(4-chlorophenyl)-4-methyl-3-(1-phenethylpiperidin-1-ium-1-yl)isoxazole CAS Name: 5-(4-chlorophenyl)-4-methyl-3-(1-phenethyl-1-piperidin-1-iumyl)isoxazole IUPAC Name: 5-(4-chlorophenyl)-4-methyl-3-(1-phenethylpiperidin-1-ium-1-yl)-1,2-oxazole Traditional Name: 5-(4-chlorophenyl)-4-methyl-3-(1-phenethylpiperidin-1-ium-1-yl)isoxazole Formula: C23H26ClN2O+ MolecularWeight: 381.91834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1[N+]2(CCCCC2)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(ON=C1[N+]2(CCCCC2)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN2O/c1-18-22(20-10-12-21(24)13-11-20)27-25-23(18)26(15-6-3-7-16-26)17-14-19-8-4-2-5-9-19/h2,4-5,8-13H,3,6-7,14-17H2,1H3/q+1