2,5-bis(azepan-1-ium-1-ylmethyl)benzene-1,4-diol

Systemtic Name: 2,5-bis(azepan-1-ium-1-ylmethyl)benzene-1,4-diol Openeye Name: 2,5-bis(azepan-1-ium-1-ylmethyl)benzene-1,4-diol CAS Name: 2,5-bis(1-azepan-1-iumylmethyl)benzene-1,4-diol IUPAC Name: 2,5-bis(azepan-1-ium-1-ylmethyl)benzene-1,4-diol Traditional Name: 2,5-bis(azepan-1-ium-1-ylmethyl)hydroquinone Formula: C20H34N2O2+2 MolecularWeight: 334.49616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=C(C=C2O)C[NH+]3CCCCCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=C(C=C2O)C[NH+]3CCCCCC3)O

InChI

InChI=1S/C20H32N2O2/c23-19-14-18(16-22-11-7-3-4-8-12-22)20(24)13-17(19)15-21-9-5-1-2-6-10-21/h13-14,23-24H,1-12,15-16H2/p+2