N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-adamantanamine hydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride Traditional Name: 2-adamantyl-[3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]amine hydrochloride Formula: C23H29BrClNO2S MolecularWeight: 498.90386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CS5.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CS5.Cl

InChI

InChI=1S/C23H28BrNO2S.ClH/c1-26-21-11-16(10-20(24)23(21)27-13-19-3-2-4-28-19)12-25-22-17-6-14-5-15(8-17)9-18(22)7-14;/h2-4,10-11,14-15,17-18,22,25H,5-9,12-13H2,1H3;1H