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

Systemtic Name: [2,6-bis(azanyl)-4-(azocan-1-yl)pyridin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2,6-diamino-4-(azocan-1-yl)pyridin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2,6-diamino-4-(1-azocanyl)-1-pyridin-1-iumyl] ester hydroxide IUPAC Name: [2,6-diamino-4-(azocan-1-yl)pyridin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2,6-diamino-4-(azocan-1-yl)pyridin-1-ium-1-yl] ester hydroxide Formula: C12H22N4O5S MolecularWeight: 334.39188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=CC(=[N+](C(=C2)N)OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

C1CCCN(CCC1)C2=CC(=[N+](C(=C2)N)OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C12H20N4O4S.H2O/c13-11-8-10(15-6-4-2-1-3-5-7-15)9-12(14)16(11)20-21(17,18)19;/h8-9H,1-7H2,(H4,13,14,17,18,19);1H2