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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine hydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]heptan-1-amine hydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-heptanamine hydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine hydrochloride Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-heptyl-amine hydrochloride Formula: C23H33BrClNO2 MolecularWeight: 470.87062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC.Cl

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC.Cl

InChI

InChI=1S/C23H32BrNO2.ClH/c1-4-5-6-7-8-13-25-16-20-14-21(24)23(22(15-20)26-3)27-17-19-11-9-18(2)10-12-19;/h9-12,14-15,25H,4-8,13,16-17H2,1-3H3;1H