1-(1-adamantyl)-N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine hydrochloride

Systemtic Name: 1-(1-adamantyl)-N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine hydrochloride Openeye Name: 1-(1-adamantyl)-N-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ethanamine hydrochloride CAS Name: 1-(1-adamantyl)-N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine hydrochloride IUPAC Name: 1-(1-adamantyl)-N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine hydrochloride Traditional Name: 1-(1-adamantyl)ethyl-[3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]amine hydrochloride Formula: C25H33BrClNO2S MolecularWeight: 526.95702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OCC5=CC=CS5)OC.Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OCC5=CC=CS5)OC.Cl

InChI

InChI=1S/C25H32BrNO2S.ClH/c1-16(25-11-17-6-18(12-25)8-19(7-17)13-25)27-14-20-9-22(26)24(23(10-20)28-2)29-15-21-4-3-5-30-21;/h3-5,9-10,16-19,27H,6-8,11-15H2,1-2H3;1H