1-(1,4-diazepan-4-ium-1-yl)-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-methoxyphenyl)ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-methoxyphenyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-methoxyphenyl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-methoxyphenyl)ethanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCC[NH2+]CC2

InChI

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