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

Systemtic Name: 1,4-diazepan-4-ium-1-yl(phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(phenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(phenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(phenyl)methanone Formula: C12H17N2O+ MolecularWeight: 205.27618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O/c15-12(11-5-2-1-3-6-11)14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-10H2/p+1