2-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)thiochromen-4-one

Systemtic Name: 2-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)thiochromen-4-one Openeye Name: 2-hydroxy-3-(piperidin-1-ium-1-ylmethyl)thiochromen-4-one CAS Name: 2-hydroxy-3-(1-piperidin-1-iumylmethyl)-1-benzothiopyran-4-one IUPAC Name: 2-hydroxy-3-(piperidin-1-ium-1-ylmethyl)thiochromen-4-one Traditional Name: 2-hydroxy-3-(piperidin-1-ium-1-ylmethyl)thiochromen-4-one Formula: C15H18NO2S+ MolecularWeight: 276.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(SC3=CC=CC=C3C2=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(SC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C15H17NO2S/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,18H,1,4-5,8-10H2/p+1