(3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (3S)-3-(4-methoxyphenyl)-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC[NH+]1CCCCC1)(C2=CC=C(C=C2)OC)O

Isomeric SMILES

CCC[C@](CC[NH+]1CCCCC1)(C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H29NO2/c1-3-11-18(20,12-15-19-13-5-4-6-14-19)16-7-9-17(21-2)10-8-16/h7-10,20H,3-6,11-15H2,1-2H3/p+1/t18-/m0/s1