5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenol

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenol Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenol CAS Name: 5-(1-azepan-1-iumylmethyl)-2-methoxyphenol IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenol Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenol Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-17-14-7-6-12(10-13(14)16)11-15-8-4-2-3-5-9-15/h6-7,10,16H,2-5,8-9,11H2,1H3/p+1