octan-1-amine; 1-phenylpropan-1-one; propane-2-thiol; hydrobromide

Systemtic Name: octan-1-amine; 1-phenylpropan-1-one; propane-2-thiol; hydrobromide Openeye Name: octan-1-amine; 1-phenylpropan-1-one; propane-2-thiol; hydrobromide CAS Name: 1-octanamine; 1-phenyl-1-propanone; 2-propanethiol; hydrobromide IUPAC Name: octan-1-amine; 1-phenylpropan-1-one; propane-2-thiol; hydrobromide Traditional Name: octylamine; propane-2-thiol; propiophenone; hydrobromide Formula: C20H38BrNOS MolecularWeight: 420.49082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.CCC(=O)C1=CC=CC=C1.CC(C)S.Br

Isomeric SMILES

CCCCCCCCN.CCC(=O)C1=CC=CC=C1.CC(C)S.Br

InChI

InChI=1S/C9H10O.C8H19N.C3H8S.BrH/c1-2-9(10)8-6-4-3-5-7-8;1-2-3-4-5-6-7-8-9;1-3(2)4;/h3-7H,2H2,1H3;2-9H2,1H3;3-4H,1-2H3;1H