3-oxidanylidene-1,3-diphenyl-propane-1-sulfonate; piperidin-1-ium

Systemtic Name: 3-oxidanylidene-1,3-diphenyl-propane-1-sulfonate; piperidin-1-ium Openeye Name: 3-oxo-1,3-diphenyl-propane-1-sulfonate; piperidin-1-ium CAS Name: 3-oxo-1,3-diphenyl-1-propanesulfonate; piperidin-1-ium IUPAC Name: 3-oxo-1,3-diphenylpropane-1-sulfonate; piperidin-1-ium Traditional Name: 3-keto-1,3-diphenyl-propane-1-sulfonate; piperidin-1-ium Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[NH2+]CC1.C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C15H14O4S.C5H11N/c16-14(12-7-3-1-4-8-12)11-15(20(17,18)19)13-9-5-2-6-10-13;1-2-4-6-5-3-1/h1-10,15H,11H2,(H,17,18,19);6H,1-5H2