1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-piperidin-1-yl-propane-1,1,3-triol

Systemtic Name: 1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-piperidin-1-yl-propane-1,1,3-triol Openeye Name: 1-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(1-piperidyl)propane-1,1,3-triol CAS Name: 1-[5-(1-azepanylmethyl)-2-thiophenyl]-2-(1-piperidinyl)propane-1,1,3-triol IUPAC Name: 1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-piperidin-1-ylpropane-1,1,3-triol Traditional Name: 1-[5-(azepan-1-ylmethyl)-2-thienyl]-2-piperidino-propane-1,1,3-triol Formula: C19H32N2O3S MolecularWeight: 368.53398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(S2)C(C(CO)N3CCCCC3)(O)O

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(S2)C(C(CO)N3CCCCC3)(O)O

InChI

InChI=1S/C19H32N2O3S/c22-15-17(21-12-6-3-7-13-21)19(23,24)18-9-8-16(25-18)14-20-10-4-1-2-5-11-20/h8-9,17,22-24H,1-7,10-15H2