1-butyl-2-ethenyl-pyridin-1-ium; ethenylbenzene; chloride; hydrate

Systemtic Name: 1-butyl-2-ethenyl-pyridin-1-ium; ethenylbenzene; chloride; hydrate Openeye Name: 1-butyl-2-vinyl-pyridin-1-ium; styrene; chloride; hydrate CAS Name: 1-butyl-2-ethenylpyridin-1-ium; styrene; chloride; hydrate IUPAC Name: 1-butyl-2-ethenylpyridin-1-ium; styrene; chloride; hydrate Traditional Name: 1-butyl-2-vinyl-pyridin-1-ium; styrene; chloride; hydrate Formula: C19H26ClNO MolecularWeight: 319.86884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1C=C.C=CC1=CC=CC=C1.O.[Cl-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1C=C.C=CC1=CC=CC=C1.O.[Cl-]

InChI

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