N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]adamantan-1-amine hydrochloride

Systemtic Name: N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]adamantan-1-amine hydrochloride Openeye Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]adamantan-1-amine hydrochloride CAS Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-adamantanamine hydrochloride IUPAC Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]adamantan-1-amine hydrochloride Traditional Name: 1-adamantyl-(4-allyloxy-3-methoxy-benzyl)amine hydrochloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC=C.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC=C.Cl

InChI

InChI=1S/C21H29NO2.ClH/c1-3-6-24-19-5-4-15(10-20(19)23-2)14-22-21-11-16-7-17(12-21)9-18(8-16)13-21;/h3-5,10,16-18,22H,1,6-9,11-14H2,2H3;1H