2-(azepan-1-ium-1-ylmethyl)-4-phenyl-phenol

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-4-phenyl-phenol Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-4-phenyl-phenol CAS Name: 2-(1-azepan-1-iumylmethyl)-4-phenylphenol IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-4-phenylphenol Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-4-phenyl-phenol Formula: C19H24NO+ MolecularWeight: 282.39996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C19H23NO/c21-19-11-10-17(16-8-4-3-5-9-16)14-18(19)15-20-12-6-1-2-7-13-20/h3-5,8-11,14,21H,1-2,6-7,12-13,15H2/p+1