4-(azepan-1-ium-1-ylmethyl)-2,6-dimethoxy-phenol

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2,6-dimethoxy-phenol Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-2,6-dimethoxy-phenol CAS Name: 4-(1-azepan-1-iumylmethyl)-2,6-dimethoxyphenol IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-2,6-dimethoxyphenol Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-2,6-dimethoxy-phenol Formula: C15H24NO3+ MolecularWeight: 266.35596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H23NO3/c1-18-13-9-12(10-14(19-2)15(13)17)11-16-7-5-3-4-6-8-16/h9-10,17H,3-8,11H2,1-2H3/p+1