3-(2,6-dimethylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 3-(2,6-dimethylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(2,6-dimethylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(2,6-dimethylphenoxy)-2,2-dimethyl-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(2,6-dimethylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(2,6-dimethylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-yl-propan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C)(C)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(C)(C)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H26N2O2/c1-13-6-5-7-14(2)15(13)21-12-17(3,4)16(20)19-10-8-18-9-11-19/h5-7,18H,8-12H2,1-4H3/p+1