2-(azepan-1-ium-1-yl)ethylazanium; methyl sulfate

Systemtic Name: 2-(azepan-1-ium-1-yl)ethylazanium; methyl sulfate Openeye Name: 2-(azepan-1-ium-1-yl)ethylammonium; methyl sulfate CAS Name: 2-(1-azepan-1-iumyl)ethylammonium; methyl sulfate IUPAC Name: 2-(azepan-1-ium-1-yl)ethylazanium; methyl sulfate Traditional Name: 2-(azepan-1-ium-1-yl)ethylammonium; methyl sulfate Formula: C10H26N2O8S2 MolecularWeight: 366.45204

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].COS(=O)(=O)[O-].C1CCC[NH+](CC1)CC[NH3+]

Isomeric SMILES

COS(=O)(=O)[O-].COS(=O)(=O)[O-].C1CCC[NH+](CC1)CC[NH3+]

InChI

InChI=1S/C8H18N2.2CH4O4S/c9-5-8-10-6-3-1-2-4-7-10;2*1-5-6(2,3)4/h1-9H2;2*1H3,(H,2,3,4)