1-[3,5-dimethyl-1-(phenylmethyl)piperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-[3,5-dimethyl-1-(phenylmethyl)piperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-(1-benzyl-3,5-dimethyl-piperidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-[3,5-dimethyl-1-(phenylmethyl)-1-piperidin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-(1-benzyl-3,5-dimethylpiperidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-(1-benzyl-3,5-dimethyl-piperidin-1-ium-1-yl)-3-(4-phenylphenoxy)propan-2-ol Formula: C29H36NO2+ MolecularWeight: 430.60164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](C1)(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1CC(C[N+](C1)(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C29H36NO2/c1-23-17-24(2)19-30(18-23,20-25-9-5-3-6-10-25)21-28(31)22-32-29-15-13-27(14-16-29)26-11-7-4-8-12-26/h3-16,23-24,28,31H,17-22H2,1-2H3/q+1