[6-azanyl-2-hexyl-4-(1-phenylpropan-2-ylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [6-azanyl-2-hexyl-4-(1-phenylpropan-2-ylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [6-amino-2-hexyl-4-[(1-methyl-2-phenyl-ethyl)amino]pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [6-amino-2-hexyl-4-(1-phenylpropan-2-ylamino)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [6-amino-2-hexyl-4-(1-phenylpropan-2-ylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [6-amino-2-hexyl-4-[(1-methyl-2-phenyl-ethyl)amino]pyrimidin-1-ium-1-yl] ester hydroxide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)NC(C)CC2=CC=CC=C2.[OH-]

Isomeric SMILES

CCCCCCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)NC(C)CC2=CC=CC=C2.[OH-]

InChI

InChI=1S/C19H28N4O4S.H2O/c1-3-4-5-9-12-19-22-18(14-17(20)23(19)27-28(24,25)26)21-15(2)13-16-10-7-6-8-11-16;/h6-8,10-11,14-15H,3-5,9,12-13H2,1-2H3,(H3,20,21,24,25,26);1H2