methyl hydrogen sulfate; 2-methylidene-4-oxidanyl-pentanoate; trimethyl-[3-(prop-2-enoylamino)propyl]azanium

Systemtic Name: methyl hydrogen sulfate; 2-methylidene-4-oxidanyl-pentanoate; trimethyl-[3-(prop-2-enoylamino)propyl]azanium Openeye Name: 4-hydroxy-2-methylene-pentanoate; methyl hydrogen sulfate; trimethyl-[3-(prop-2-enoylamino)propyl]ammonium CAS Name: 4-hydroxy-2-methylenepentanoate; sulfuric acid methyl ester; trimethyl-[3-(1-oxoprop-2-enylamino)propyl]ammonium IUPAC Name: 4-hydroxy-2-methylidenepentanoate; methyl hydrogen sulfate; trimethyl-[3-(prop-2-enoylamino)propyl]azanium Traditional Name: 3-acrylamidopropyl(trimethyl)ammonium; 2-(2-hydroxypropyl)acrylate; sulfuric acid methyl ester Formula: C16H32N2O8S MolecularWeight: 412.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=C)C(=O)[O-])O.C[N+](C)(C)CCCNC(=O)C=C.COS(=O)(=O)O

Isomeric SMILES

CC(CC(=C)C(=O)[O-])O.C[N+](C)(C)CCCNC(=O)C=C.COS(=O)(=O)O

InChI

InChI=1S/C9H18N2O.C6H10O3.CH4O4S/c1-5-9(12)10-7-6-8-11(2,3)4;1-4(6(8)9)3-5(2)7;1-5-6(2,3)4/h5H,1,6-8H2,2-4H3;5,7H,1,3H2,2H3,(H,8,9);1H3,(H,2,3,4)