N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-1-amine hydrochloride

Systemtic Name: N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-1-amine hydrochloride Openeye Name: N-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]adamantan-1-amine hydrochloride CAS Name: N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-adamantanamine hydrochloride IUPAC Name: N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-1-amine hydrochloride Traditional Name: 1-adamantyl-[3-ethoxy-4-(2-thenyloxy)benzyl]amine hydrochloride Formula: C24H32ClNO2S MolecularWeight: 434.03438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC5=CC=CS5.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC5=CC=CS5.Cl

InChI

InChI=1S/C24H31NO2S.ClH/c1-2-26-23-11-17(5-6-22(23)27-16-21-4-3-7-28-21)15-25-24-12-18-8-19(13-24)10-20(9-18)14-24;/h3-7,11,18-20,25H,2,8-10,12-16H2,1H3;1H