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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c1-18-22(26-25(30-18)21-9-10-23(28-2)24(16-21)29-3)17-27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16,20H,11-15,17H2,1-3H3/p+1