2-(azepan-1-ium-1-ylmethyl)benzene-1,4-diol

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)benzene-1,4-diol Openeye Name: 2-(azepan-1-ium-1-ylmethyl)benzene-1,4-diol CAS Name: 2-(1-azepan-1-iumylmethyl)benzene-1,4-diol IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)benzene-1,4-diol Traditional Name: 2-(azepan-1-ium-1-ylmethyl)hydroquinone Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC(=C2)O)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC(=C2)O)O

InChI

InChI=1S/C13H19NO2/c15-12-5-6-13(16)11(9-12)10-14-7-3-1-2-4-8-14/h5-6,9,15-16H,1-4,7-8,10H2/p+1