2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenoxy)piperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenoxy)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenoxy)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenoxy)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[4-(2-methylphenoxy)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-4-[[4-(2-methylphenoxy)piperidin-1-ium-1-yl]methyl]-2-p-phenetyl-oxazole Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCC(CC3)OC4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCC(CC3)OC4=CC=CC=C4C

InChI

InChI=1S/C25H30N2O3/c1-4-28-21-11-9-20(10-12-21)25-26-23(19(3)29-25)17-27-15-13-22(14-16-27)30-24-8-6-5-7-18(24)2/h5-12,22H,4,13-17H2,1-3H3/p+1