(4-dimethylaminophenyl)methyl-[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (4-dimethylaminophenyl)methyl-[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (4-dimethylaminophenyl)methyl-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (4-dimethylaminophenyl)methyl-[3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (4-dimethylaminophenyl)methyl-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [4-(dimethylamino)benzyl]-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]ammonium binoxalate Formula: C26H44N2O5 MolecularWeight: 464.63796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=C(C=C1)N(C)C)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)CCC(CC[NH2+]CC1=CC=C(C=C1)N(C)C)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H42N2O.C2H2O4/c1-19(2)7-10-21(22-14-16-27-24(3,4)17-22)13-15-25-18-20-8-11-23(12-9-20)26(5)6;3-1(4)2(5)6/h8-9,11-12,19,21-22,25H,7,10,13-18H2,1-6H3;(H,3,4)(H,5,6)