1,4-diazepan-4-ium-1-yl-(3-hydroxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxyphenyl)methanone Formula: C12H17N2O2+ MolecularWeight: 221.27558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2/c15-11-4-1-3-10(9-11)12(16)14-7-2-5-13-6-8-14/h1,3-4,9,13,15H,2,5-8H2/p+1