N-tert-butyl-1-(2-hexoxy-5-pyridin-1-ium-1-yl-phenyl)methanimine oxide

Systemtic Name: N-tert-butyl-1-(2-hexoxy-5-pyridin-1-ium-1-yl-phenyl)methanimine oxide Openeye Name: N-tert-butyl-1-(2-hexoxy-5-pyridin-1-ium-1-yl-phenyl)methanimine oxide CAS Name: N-tert-butyl-1-[2-hexoxy-5-(1-pyridin-1-iumyl)phenyl]methanimine oxide IUPAC Name: N-tert-butyl-1-(2-hexoxy-5-pyridin-1-ium-1-ylphenyl)methanimine oxide Traditional Name: N-tert-butyl-1-(2-hexoxy-5-pyridin-1-ium-1-yl-phenyl)methanimine oxide Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)[N+]2=CC=CC=C2)C=[N+](C(C)(C)C)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)[N+]2=CC=CC=C2)/C=[N+](/C(C)(C)C)\[O-]

InChI

InChI=1S/C22H31N2O2/c1-5-6-7-11-16-26-21-13-12-20(23-14-9-8-10-15-23)17-19(21)18-24(25)22(2,3)4/h8-10,12-15,17-18H,5-7,11,16H2,1-4H3/q+1/b24-18-