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

Systemtic Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline iodide Openeye Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline iodide CAS Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline iodide IUPAC Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline iodide Traditional Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-dimethyl-amine iodide Formula: C17H19IN2S MolecularWeight: 410.31563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[I-]

InChI

InChI=1S/C17H19N2S.HI/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1