2-(3-methyl-4-propan-2-yl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-12(2)15-5-4-14(10-13(15)3)20-11-16(19)18-8-6-17-7-9-18/h4-5,10,12,17H,6-9,11H2,1-3H3/p+1