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

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]heptan-1-amine hydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]heptan-1-amine hydrochloride CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-heptanamine hydrochloride IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine hydrochloride Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-heptyl-amine hydrochloride Formula: C22H31BrClNO2 MolecularWeight: 456.84404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO2.ClH/c1-3-4-5-6-10-13-24-16-19-14-20(23)22(21(15-19)25-2)26-17-18-11-8-7-9-12-18;/h7-9,11-12,14-15,24H,3-6,10,13,16-17H2,1-2H3;1H