2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(2,3,5-trimethylphenoxy)propan-1-one

Systemtic Name: 2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(2,3,5-trimethylphenoxy)propan-1-one Openeye Name: 2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(2,3,5-trimethylphenoxy)propan-1-one CAS Name: 2,2-dimethyl-1-(1-piperazin-4-iumyl)-3-(2,3,5-trimethylphenoxy)-1-propanone IUPAC Name: 2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(2,3,5-trimethylphenoxy)propan-1-one Traditional Name: 2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(2,3,5-trimethylphenoxy)propan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-13-10-14(2)15(3)16(11-13)22-12-18(4,5)17(21)20-8-6-19-7-9-20/h10-11,19H,6-9,12H2,1-5H3/p+1