1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-propan-2-ylphenoxy)ethanone Openeye Name: 2-(2-isopropylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-propan-2-ylphenoxy)ethanone Traditional Name: 2-(2-isopropylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H26N2O2/c1-14(2)15-7-4-5-8-16(15)21-13-17(20)19-10-6-9-18(3)11-12-19/h4-5,7-8,14H,6,9-13H2,1-3H3/p+1