[2-azanyl-6-(azocan-1-yl)-4-methyl-1,4-dihydropyrimidin-3-ium-3-yl] hydrogen sulfate

Systemtic Name: [2-azanyl-6-(azocan-1-yl)-4-methyl-1,4-dihydropyrimidin-3-ium-3-yl] hydrogen sulfate Openeye Name: [2-amino-6-(azocan-1-yl)-4-methyl-1,4-dihydropyrimidin-3-ium-3-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-6-(1-azocanyl)-4-methyl-1,4-dihydropyrimidin-3-ium-3-yl] ester IUPAC Name: [2-amino-6-(azocan-1-yl)-4-methyl-1,4-dihydropyrimidin-3-ium-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-6-(azocan-1-yl)-4-methyl-1,4-dihydropyrimidin-3-ium-3-yl] ester Formula: C12H23N4O4S+ MolecularWeight: 319.40042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2

Isomeric SMILES

CC1C=C(NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2

InChI

InChI=1S/C12H22N4O4S/c1-10-9-11(15-7-5-3-2-4-6-8-15)14-12(13)16(10)20-21(17,18)19/h9-10H,2-8H2,1H3,(H3,13,14,17,18,19)/p+1