methyl sulfate; pentan-3-yl-[2-(prop-2-enoylamino)ethyl]azanium

Systemtic Name: methyl sulfate; pentan-3-yl-[2-(prop-2-enoylamino)ethyl]azanium Openeye Name: 1-ethylpropyl-[2-(prop-2-enoylamino)ethyl]ammonium; methyl sulfate CAS Name: methyl sulfate; 2-(1-oxoprop-2-enylamino)ethyl-pentan-3-ylammonium IUPAC Name: methyl sulfate; pentan-3-yl-[2-(prop-2-enoylamino)ethyl]azanium Traditional Name: 2-acrylamidoethyl(1-ethylpropyl)ammonium; methyl sulfate Formula: C11H24N2O5S MolecularWeight: 296.38366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCNC(=O)C=C.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)[NH2+]CCNC(=O)C=C.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H20N2O.CH4O4S/c1-4-9(5-2)11-7-8-12-10(13)6-3;1-5-6(2,3)4/h6,9,11H,3-5,7-8H2,1-2H3,(H,12,13);1H3,(H,2,3,4)