2-(4-chloranyl-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C15H22ClN2O2+ MolecularWeight: 297.80038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O2/c1-12-10-13(4-5-14(12)16)20-11-15(19)18-7-3-6-17(2)8-9-18/h4-5,10H,3,6-9,11H2,1-2H3/p+1