2,6-bis(4-dimethylaminophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2,6-bis(4-dimethylaminophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2,6-bis(4-dimethylaminophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 2,6-bis(4-dimethylaminophenyl)-4-hexyl-3,5-dimethyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 2,6-bis(4-dimethylaminophenyl)-4-hexyl-3,5-dimethylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 2,6-bis(4-dimethylaminophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol binoxalate Formula: C31H47N3O5 MolecularWeight: 541.72198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(C([NH2+]C(C1C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCC1(C(C([NH2+]C(C1C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H45N3O.C2H2O4/c1-8-9-10-11-20-29(33)21(2)27(23-12-16-25(17-13-23)31(4)5)30-28(22(29)3)24-14-18-26(19-15-24)32(6)7;3-1(4)2(5)6/h12-19,21-22,27-28,30,33H,8-11,20H2,1-7H3;(H,3,4)(H,5,6)