2-(2,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(2,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(2,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(2,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(2,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(2,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C16H24N2O2/c1-13-5-6-14(2)15(11-13)20-12-16(19)18-8-4-7-17(3)9-10-18/h5-6,11H,4,7-10,12H2,1-3H3/p+1