1,4-diazepan-4-ium-1-yl-(2-hydroxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxyphenyl)methanone Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=C2O

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=C2O

InChI

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