[4-[2-(2-methylpropanoylamino)ethyl]phenyl] sulfate; triethylazanium

Systemtic Name: [4-[2-(2-methylpropanoylamino)ethyl]phenyl] sulfate; triethylazanium Openeye Name: [4-[2-(2-methylpropanoylamino)ethyl]phenyl] sulfate; triethylammonium CAS Name: [4-[2-[(2-methyl-1-oxopropyl)amino]ethyl]phenyl] sulfate; triethylammonium IUPAC Name: [4-[2-(2-methylpropanoylamino)ethyl]phenyl] sulfate; triethylazanium Traditional Name: [4-[2-(isobutyrylamino)ethyl]phenyl] sulfate; triethylammonium Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC(C)C(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.CC(C)C(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)[O-]

InChI

InChI=1S/C12H17NO5S.C6H15N/c1-9(2)12(14)13-8-7-10-3-5-11(6-4-10)18-19(15,16)17;1-4-7(5-2)6-3/h3-6,9H,7-8H2,1-2H3,(H,13,14)(H,15,16,17);4-6H2,1-3H3