5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-1-ium-4-amine dichloride

Systemtic Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-1-ium-4-amine dichloride Openeye Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-1-ium-4-amine dichloride CAS Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-4-pyrimidin-1-iumamine dichloride IUPAC Name: 5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methylpyrimidin-1-ium-4-amine dichloride Traditional Name: [5-(1,3-benzothiazol-3-ium-3-ylmethyl)-2-methyl-pyrimidin-1-ium-4-yl]amine dichloride Formula: C13H14Cl2N4S MolecularWeight: 329.24806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=N1)N)C[N+]2=CSC3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C(=N1)N)C[N+]2=CSC3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/C13H13N4S.2ClH/c1-9-15-6-10(13(14)16-9)7-17-8-18-12-5-3-2-4-11(12)17;;/h2-6,8H,7H2,1H3,(H2,14,15,16);2*1H/q+1;;/p-1