(2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-hydroxy-cyclohexanone CAS Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-hydroxy-1-cyclohexanone IUPAC Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-hydroxycyclohexan-1-one Traditional Name: (2S,4S)-2-[bis(4-dimethylaminophenyl)methyl]-4-hydroxy-cyclohexanone Formula: C23H30N2O2 MolecularWeight: 366.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2CC(CCC2=O)O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C([C@@H]2C[C@H](CCC2=O)O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H30N2O2/c1-24(2)18-9-5-16(6-10-18)23(21-15-20(26)13-14-22(21)27)17-7-11-19(12-8-17)25(3)4/h5-12,20-21,23,26H,13-15H2,1-4H3/t20-,21+/m0/s1