(Z)-2,3-dimethyl-4-piperidin-1-ium-1-yl-but-2-ene-1-sulfonate

Systemtic Name: (Z)-2,3-dimethyl-4-piperidin-1-ium-1-yl-but-2-ene-1-sulfonate Openeye Name: (Z)-2,3-dimethyl-4-piperidin-1-ium-1-yl-but-2-ene-1-sulfonate CAS Name: (Z)-2,3-dimethyl-4-(1-piperidin-1-iumyl)-2-butene-1-sulfonate IUPAC Name: (Z)-2,3-dimethyl-4-piperidin-1-ium-1-ylbut-2-ene-1-sulfonate Traditional Name: (Z)-2,3-dimethyl-4-piperidin-1-ium-1-yl-but-2-ene-1-sulfonate Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)CS(=O)(=O)[O-])C[NH+]1CCCCC1

Isomeric SMILES

C/C(=C(\C)/CS(=O)(=O)[O-])/C[NH+]1CCCCC1

InChI

InChI=1S/C11H21NO3S/c1-10(11(2)9-16(13,14)15)8-12-6-4-3-5-7-12/h3-9H2,1-2H3,(H,13,14,15)/b11-10-