propan-2-yl sulfate; 4-pyridin-1-ium-1-ylbutan-2-one

Systemtic Name: propan-2-yl sulfate; 4-pyridin-1-ium-1-ylbutan-2-one Openeye Name: isopropyl sulfate; 4-pyridin-1-ium-1-ylbutan-2-one CAS Name: propan-2-yl sulfate; 4-(1-pyridin-1-iumyl)-2-butanone IUPAC Name: propan-2-yl sulfate; 4-pyridin-1-ium-1-ylbutan-2-one Traditional Name: isopropyl sulfate; 4-pyridin-1-ium-1-ylbutan-2-one Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OS(=O)(=O)[O-].CC(=O)CC[N+]1=CC=CC=C1

Isomeric SMILES

CC(C)OS(=O)(=O)[O-].CC(=O)CC[N+]1=CC=CC=C1

InChI

InChI=1S/C9H12NO.C3H8O4S/c1-9(11)5-8-10-6-3-2-4-7-10;1-3(2)7-8(4,5)6/h2-4,6-7H,5,8H2,1H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1