sodium 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propane-1-sulfonate Openeye Name: sodium 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propane-1-sulfonate CAS Name: sodium 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-propanesulfonate IUPAC Name: sodium 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propane-1-sulfonate Traditional Name: sodium 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propane-1-sulfonate Formula: C14H18NNaO3S MolecularWeight: 303.35239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H19NO3S.Na/c16-19(17,18)12-4-9-15-10-7-14(8-11-15)13-5-2-1-3-6-13;/h1-3,5-7H,4,8-12H2,(H,16,17,18);/q;+1/p-1