3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one

Systemtic Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one Openeye Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one CAS Name: 3-(1-pyrrolidin-1-iumylmethyl)-1,3-benzothiazol-2-one IUPAC Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one Traditional Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-1,3-benzothiazol-2-one Formula: C12H15N2OS+ MolecularWeight: 235.3253

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

C1CC[NH+](C1)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C12H14N2OS/c15-12-14(9-13-7-3-4-8-13)10-5-1-2-6-11(10)16-12/h1-2,5-6H,3-4,7-9H2/p+1