2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-ethanamide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-ethanamide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-acetamide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propylacetamide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propylacetamide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-acetamide Formula: C12H15N2OS+ MolecularWeight: 235.3253

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CCCNC(=O)C[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C12H14N2OS/c1-2-7-13-12(15)8-14-9-16-11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3/p+1