N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide

Systemtic Name: N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide Openeye Name: N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide CAS Name: N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide IUPAC Name: N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide Traditional Name: dimethyl-[4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)phenyl]amine iodide Formula: C16H21IN2S MolecularWeight: 400.32081

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1CCCC2)C3=CC=C(C=C3)N(C)C.[I-]

Isomeric SMILES

C[N+]1=C(SC2=C1CCCC2)C3=CC=C(C=C3)N(C)C.[I-]

InChI

InChI=1S/C16H21N2S.HI/c1-17(2)13-10-8-12(9-11-13)16-18(3)14-6-4-5-7-15(14)19-16;/h8-11H,4-7H2,1-3H3;1H/q+1;/p-1