1,4-diazepan-4-ium-1-yl-(4-ethoxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-ethoxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(4-ethoxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-ethoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-ethoxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(p-phenetyl)methanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H20N2O2/c1-2-18-13-6-4-12(5-7-13)14(17)16-10-3-8-15-9-11-16/h4-7,15H,2-3,8-11H2,1H3/p+1