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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-hydroxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(4-hydroxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-hydroxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-hydroxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(4-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=C(C=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2/c15-11-4-2-10(3-5-11)12(16)14-8-1-6-13-7-9-14/h2-5,13,15H,1,6-9H2/p+1