(2R)-2-(4-tert-butylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(4-tert-butylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-tert-butylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(4-tert-butylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-tert-butylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(4-tert-butylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H29N3O2/c1-17(27-19-10-8-18(9-11-19)22(2,3)4)21(26)25-15-13-24(14-16-25)20-7-5-6-12-23-20/h5-12,17H,13-16H2,1-4H3/p+1/t17-/m1/s1