(3-chloranyl-4,5-diethoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium

Systemtic Name: (3-chloranyl-4,5-diethoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (3-chloro-4,5-diethoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (3-chloro-4,5-diethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (3-chloro-4,5-diethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (3-chloro-4,5-diethoxy-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium Formula: C23H35ClNO2+ MolecularWeight: 392.9825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)Cl)OCC

InChI

InChI=1S/C23H34ClNO2/c1-5-26-19-8-16(7-18(24)20(19)27-6-2)12-25-23-11-17-9-21(3,14-23)13-22(4,10-17)15-23/h7-8,17,25H,5-6,9-15H2,1-4H3/p+1/t17?,21-,22+,23?