1-(1,4-diazepan-4-ium-1-yl)-3-phenoxy-propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenoxy-propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenoxy-propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenoxy-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenoxypropan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenoxy-propan-1-one Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCOC2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c17-14(16-10-4-8-15-9-11-16)7-12-18-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2/p+1