1-(1,4-diazepan-4-ium-1-yl)-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenyl-prop-2-yn-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenyl-prop-2-yn-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenyl-2-propyn-1-one IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenylprop-2-yn-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-phenyl-prop-2-yn-1-one Formula: C14H17N2O+ MolecularWeight: 229.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O/c17-14(16-11-4-9-15-10-12-16)8-7-13-5-2-1-3-6-13/h1-3,5-6,15H,4,9-12H2/p+1