[2-azanyl-4-(azocan-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [2-azanyl-4-(azocan-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2-amino-4-(azocan-1-yl)-6-methyl-pyridin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-4-(1-azocanyl)-6-methyl-1-pyridin-1-iumyl] ester hydroxide IUPAC Name: [2-amino-4-(azocan-1-yl)-6-methylpyridin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2-amino-4-(azocan-1-yl)-6-methyl-pyridin-1-ium-1-yl] ester hydroxide Formula: C13H23N3O5S MolecularWeight: 333.40382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC(=C1)N2CCCCCCC2)N)OS(=O)(=O)O.[OH-]

Isomeric SMILES

CC1=[N+](C(=CC(=C1)N2CCCCCCC2)N)OS(=O)(=O)O.[OH-]

InChI

InChI=1S/C13H21N3O4S.H2O/c1-11-9-12(15-7-5-3-2-4-6-8-15)10-13(14)16(11)20-21(17,18)19;/h9-10,14H,2-8H2,1H3,(H,17,18,19);1H2