2-(4-tert-butyl-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-tert-butyl-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-tert-butyl-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-tert-butyl-2-methylphenoxy)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-tert-butyl-2-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(4-tert-butyl-2-methyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-14-12-15(18(2,3)4)6-7-16(14)22-13-17(21)20-10-8-19(5)9-11-20/h6-7,12H,8-11,13H2,1-5H3/p+1