N-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine hydrochloride

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine hydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]hexan-1-amine hydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-hexanamine hydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine hydrochloride Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-hexyl-amine hydrochloride Formula: C22H31BrClNO2 MolecularWeight: 456.84404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC.Cl

Isomeric SMILES

CCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC.Cl

InChI

InChI=1S/C22H30BrNO2.ClH/c1-4-5-6-7-12-24-15-19-13-20(23)22(21(14-19)25-3)26-16-18-10-8-17(2)9-11-18;/h8-11,13-14,24H,4-7,12,15-16H2,1-3H3;1H