(2S)-1-(2,4-dimethylphenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,4-dimethylphenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(2,4-dimethylphenoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol Formula: C23H32NO2+ MolecularWeight: 354.50568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C23H31NO2/c1-18-8-9-23(19(2)14-18)26-17-22(25)16-24-12-10-21(11-13-24)15-20-6-4-3-5-7-20/h3-9,14,21-22,25H,10-13,15-17H2,1-2H3/p+1/t22-/m0/s1