5-[[5-(2-butoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-N-butyl-2-methyl-pyrimidin-4-amine chloride

Systemtic Name: 5-[[5-(2-butoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-N-butyl-2-methyl-pyrimidin-4-amine chloride Openeye Name: 5-[[5-(2-butoxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-N-butyl-2-methyl-pyrimidin-4-amine chloride CAS Name: 5-[[5-(2-butoxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-N-butyl-2-methyl-4-pyrimidinamine chloride IUPAC Name: 5-[[5-(2-butoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-N-butyl-2-methylpyrimidin-4-amine chloride Traditional Name: [5-[[5-(2-butoxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]-butyl-amine chloride Formula: C20H33ClN4OS MolecularWeight: 413.02022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C[N+]2=CSC(=C2C)CCOCCCC)C.[Cl-]

Isomeric SMILES

CCCCNC1=NC(=NC=C1C[N+]2=CSC(=C2C)CCOCCCC)C.[Cl-]

InChI

InChI=1S/C20H33N4OS.ClH/c1-5-7-10-21-20-18(13-22-17(4)23-20)14-24-15-26-19(16(24)3)9-12-25-11-8-6-2;/h13,15H,5-12,14H2,1-4H3,(H,21,22,23);1H/q+1;/p-1