N-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine hydrochloride

Systemtic Name: N-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine hydrochloride Openeye Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine hydrochloride CAS Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-heptanamine hydrochloride IUPAC Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]heptan-1-amine hydrochloride Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-methoxy-benzyl]-heptyl-amine hydrochloride Formula: C22H30BrCl2NO2 MolecularWeight: 491.2891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OC.Cl

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OC.Cl

InChI

InChI=1S/C22H29BrClNO2.ClH/c1-3-4-5-6-9-12-25-15-17-13-19(23)22(21(14-17)26-2)27-16-18-10-7-8-11-20(18)24;/h7-8,10-11,13-14,25H,3-6,9,12,15-16H2,1-2H3;1H