4-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]aniline hydrochloride

Systemtic Name: 4-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]aniline hydrochloride Openeye Name: 4-[2-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]ethyl]aniline hydrochloride CAS Name: 4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]ethyl]aniline hydrochloride IUPAC Name: 4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]aniline hydrochloride Traditional Name: [4-[2-[4-(2-bromo-5-methoxy-benzyl)piperidino]ethyl]phenyl]amine hydrochloride Formula: C21H28BrClN2O MolecularWeight: 439.81682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3=CC=C(C=C3)N.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3=CC=C(C=C3)N.Cl

InChI

InChI=1S/C21H27BrN2O.ClH/c1-25-20-6-7-21(22)18(15-20)14-17-9-12-24(13-10-17)11-8-16-2-4-19(23)5-3-16;/h2-7,15,17H,8-14,23H2,1H3;1H