3-[4-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[4-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid Formula: C17H25NO3S MolecularWeight: 323.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1CCCC2=CC=CC=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CC=C1CCCC2=CC=CC=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C17H25NO3S/c19-22(20,21)15-5-12-18-13-10-17(11-14-18)9-4-8-16-6-2-1-3-7-16/h1-3,6-7,10H,4-5,8-9,11-15H2,(H,19,20,21)