4-(azepan-1-ium-1-ylmethyl)-2-bromanyl-6-methoxy-phenol

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-bromanyl-6-methoxy-phenol Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-2-bromo-6-methoxy-phenol CAS Name: 4-(1-azepan-1-iumylmethyl)-2-bromo-6-methoxyphenol IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-2-bromo-6-methoxyphenol Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-2-bromo-6-methoxy-phenol Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCCCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCCCCC2)Br)O

InChI

InChI=1S/C14H20BrNO2/c1-18-13-9-11(8-12(15)14(13)17)10-16-6-4-2-3-5-7-16/h8-9,17H,2-7,10H2,1H3/p+1