N,N-dimethyl-3-(5-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-amine

Systemtic Name: N,N-dimethyl-3-(5-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-amine Openeye Name: N,N-dimethyl-3-(5-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-amine CAS Name: N,N-dimethyl-3-(5-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanamine IUPAC Name: N,N-dimethyl-3-(5-methyl-1,3-benzothiazol-3-ium-3-yl)propan-1-amine Traditional Name: dimethyl-[3-(5-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]amine Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=[N+]2CCCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC=[N+]2CCCN(C)C

InChI

InChI=1S/C13H19N2S/c1-11-5-6-13-12(9-11)15(10-16-13)8-4-7-14(2)3/h5-6,9-10H,4,7-8H2,1-3H3/q+1