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

Systemtic Name: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride Openeye Name: N-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride CAS Name: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-adamantanamine hydrochloride IUPAC Name: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-2-amine hydrochloride Traditional Name: 2-adamantyl-[3-methoxy-4-(2-thenyloxy)benzyl]amine hydrochloride Formula: C23H30ClNO2S MolecularWeight: 420.0078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO2S.ClH/c1-25-22-12-15(4-5-21(22)26-14-20-3-2-6-27-20)13-24-23-18-8-16-7-17(10-18)11-19(23)9-16;/h2-6,12,16-19,23-24H,7-11,13-14H2,1H3;1H