3-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-propan-1-amine Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-propan-1-amine CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-1-propanamine IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N,N-dimethylpropan-1-amine Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)propyl-dimethyl-amine Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CN(C)CCC[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C12H17N2S/c1-13(2)8-5-9-14-10-15-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3/q+1