1-(1,4-diazepan-4-ium-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-phenyl-ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-phenyl-ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-phenylethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-phenylethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-phenyl-ethanone Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O/c16-13(11-12-5-2-1-3-6-12)15-9-4-7-14-8-10-15/h1-3,5-6,14H,4,7-11H2/p+1