benzenesulfonate; (1,1-dimethyl-3-oxidanyl-piperidin-1-ium-3-yl)-phenyl-methanone

Systemtic Name: benzenesulfonate; (1,1-dimethyl-3-oxidanyl-piperidin-1-ium-3-yl)-phenyl-methanone Openeye Name: benzenesulfonate; (3-hydroxy-1,1-dimethyl-piperidin-1-ium-3-yl)-phenyl-methanone CAS Name: benzenesulfonate; (3-hydroxy-1,1-dimethyl-3-piperidin-1-iumyl)-phenylmethanone IUPAC Name: benzenesulfonate; (3-hydroxy-1,1-dimethylpiperidin-1-ium-3-yl)-phenylmethanone Traditional Name: (3-hydroxy-1,1-dimethyl-piperidin-1-ium-3-yl)-phenyl-methanone besylate Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)(C(=O)C2=CC=CC=C2)O)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC(C1)(C(=O)C2=CC=CC=C2)O)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H20NO2.C6H6O3S/c1-15(2)10-6-9-14(17,11-15)13(16)12-7-4-3-5-8-12;7-10(8,9)6-4-2-1-3-5-6/h3-5,7-8,17H,6,9-11H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1