2-(azocan-1-ium-1-ylmethyl)-4-(2,5-dimethoxyphenyl)phenol

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-4-(2,5-dimethoxyphenyl)phenol Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-4-(2,5-dimethoxyphenyl)phenol CAS Name: 2-(1-azocan-1-iumylmethyl)-4-(2,5-dimethoxyphenyl)phenol IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-4-(2,5-dimethoxyphenyl)phenol Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-(2,5-dimethoxyphenyl)phenol Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C22H29NO3/c1-25-19-9-11-22(26-2)20(15-19)17-8-10-21(24)18(14-17)16-23-12-6-4-3-5-7-13-23/h8-11,14-15,24H,3-7,12-13,16H2,1-2H3/p+1