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

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenoxy-ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenoxy-ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenoxyethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenoxyethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-phenoxy-ethanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-15-8-5-9-16(11-10-15)14(17)12-18-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3/p+1