1-phenylbutan-1-ol; phenyl(propyl)azanium; chloride

Systemtic Name: 1-phenylbutan-1-ol; phenyl(propyl)azanium; chloride Openeye Name: 1-phenylbutan-1-ol; phenyl(propyl)ammonium; chloride CAS Name: 1-phenyl-1-butanol; phenyl(propyl)ammonium; chloride IUPAC Name: 1-phenylbutan-1-ol; phenyl(propyl)azanium; chloride Traditional Name: 1-phenylbutan-1-ol; phenyl(propyl)ammonium; chloride Formula: C19H28ClNO MolecularWeight: 321.88472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)O.CCC[NH2+]C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCC(C1=CC=CC=C1)O.CCC[NH2+]C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C10H14O.C9H13N.ClH/c1-2-6-10(11)9-7-4-3-5-8-9;1-2-8-10-9-6-4-3-5-7-9;/h3-5,7-8,10-11H,2,6H2,1H3;3-7,10H,2,8H2,1H3;1H