2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; dodecyl sulfate

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; dodecyl sulfate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol; dodecyl sulfate CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol; dodecyl sulfate IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; dodecyl sulfate Traditional Name: lauryl sulfate; thiamin Formula: C24H42N4O5S2 MolecularWeight: 530.74408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)[O-].CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)[O-].CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO

InChI

InChI=1S/C12H17N4OS.C12H26O4S/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2-12H2,1H3,(H,13,14,15)/q+1;/p-1