2-[2-bromanyl-4-(butylaminomethyl)-6-methoxy-phenoxy]ethanenitrile hydrochloride

Systemtic Name: 2-[2-bromanyl-4-(butylaminomethyl)-6-methoxy-phenoxy]ethanenitrile hydrochloride Openeye Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxy-phenoxy]acetonitrile hydrochloride CAS Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxyphenoxy]acetonitrile hydrochloride IUPAC Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxyphenoxy]acetonitrile hydrochloride Traditional Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxy-phenoxy]acetonitrile hydrochloride Formula: C14H20BrClN2O2 MolecularWeight: 363.6778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)Br)OCC#N)OC.Cl

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)Br)OCC#N)OC.Cl

InChI

InChI=1S/C14H19BrN2O2.ClH/c1-3-4-6-17-10-11-8-12(15)14(19-7-5-16)13(9-11)18-2;/h8-9,17H,3-4,6-7,10H2,1-2H3;1H