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

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-naphthalen-2-yl-ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-naphthyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-naphthalenyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-naphthalen-2-ylethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-naphthyl)ethanone Formula: C17H21N2O+ MolecularWeight: 269.36144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H20N2O/c20-17(19-10-3-8-18-9-11-19)13-14-6-7-15-4-1-2-5-16(15)12-14/h1-2,4-7,12,18H,3,8-11,13H2/p+1