4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-butanesulfonate IUPAC Name: 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)butane-1-sulfonate Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c17-20(18,19)13-5-4-10-16-11-8-15(9-12-16)14-6-2-1-3-7-14/h1-3,6-8H,4-5,9-13H2,(H,17,18,19)