2,6-dimethoxy-4-[[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(1S,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methyl]phenol Formula: C20H33N2O3+ MolecularWeight: 349.48762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C20H32N2O3/c1-15-5-4-6-17(11-15)22-9-7-21(8-10-22)14-16-12-18(24-2)20(23)19(13-16)25-3/h12-13,15,17,23H,4-11,14H2,1-3H3/p+1/t15-,17-/m0/s1