(3S,5R)-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-1-amine

Systemtic Name: (3S,5R)-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-1-amine Openeye Name: (3S,5R)-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-1-amine CAS Name: (3S,5R)-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1-adamantanamine IUPAC Name: (3S,5R)-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]adamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(2,4,5-trimethoxybenzyl)amine Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C=C4OC)OC)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC(=C(C=C4OC)OC)OC)C

InChI

InChI=1S/C22H33NO3/c1-20-8-15-9-21(2,12-20)14-22(10-15,13-20)23-11-16-6-18(25-4)19(26-5)7-17(16)24-3/h6-7,15,23H,8-14H2,1-5H3/t15?,20-,21+,22?