1-butyl-3-ethenyl-pyridin-1-ium; ethenylbenzene; bromide; hydrate

Systemtic Name: 1-butyl-3-ethenyl-pyridin-1-ium; ethenylbenzene; bromide; hydrate Openeye Name: 1-butyl-3-vinyl-pyridin-1-ium; styrene; bromide; hydrate CAS Name: 1-butyl-3-ethenylpyridin-1-ium; styrene; bromide; hydrate IUPAC Name: 1-butyl-3-ethenylpyridin-1-ium; styrene; bromide; hydrate Traditional Name: 1-butyl-3-vinyl-pyridin-1-ium; styrene; bromide; hydrate Formula: C19H26BrNO MolecularWeight: 364.31984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)C=C.C=CC1=CC=CC=C1.O.[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)C=C.C=CC1=CC=CC=C1.O.[Br-]

InChI

InChI=1S/C11H16N.C8H8.BrH.H2O/c1-3-5-8-12-9-6-7-11(4-2)10-12;1-2-8-6-4-3-5-7-8;;/h4,6-7,9-10H,2-3,5,8H2,1H3;2-7H,1H2;1H;1H2/q+1;;;/p-1