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

Systemtic Name: 2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-4-prop-2-enyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-allyl-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-4-prop-2-enyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 4-allyl-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-piperidin-1-ium-4-ol binoxalate Formula: C28H39N3O5 MolecularWeight: 497.62636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1(CC=C)O)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C([NH2+]C(C(C1(CC=C)O)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H37N3O.C2H2O4/c1-8-17-26(30)18(2)24(20-9-13-22(14-10-20)28(4)5)27-25(19(26)3)21-11-15-23(16-12-21)29(6)7;3-1(4)2(5)6/h8-16,18-19,24-25,27,30H,1,17H2,2-7H3;(H,3,4)(H,5,6)