N-butyl-3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate; hydrate

Systemtic Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate; hydrate Openeye Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)benzamide; 2-hydroxy-2-oxo-acetate; hydrate CAS Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)benzamide; 2-hydroxy-2-oxoacetate; hydrate IUPAC Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)benzamide; 2-hydroxy-2-oxoacetate; hydrate Traditional Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl)benzamide binoxalate hydrate Formula: C23H34N2O6 MolecularWeight: 434.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC2CCC(C1)[NH+]2C)C(=O)C3=CC(=CC(=C3)C)C.C(=O)(C(=O)[O-])O.O

Isomeric SMILES

CCCCN(C1=CC2CCC(C1)[NH+]2C)C(=O)C3=CC(=CC(=C3)C)C.C(=O)(C(=O)[O-])O.O

InChI

InChI=1S/C21H30N2O.C2H2O4.H2O/c1-5-6-9-23(20-13-18-7-8-19(14-20)22(18)4)21(24)17-11-15(2)10-16(3)12-17;3-1(4)2(5)6;/h10-13,18-19H,5-9,14H2,1-4H3;(H,3,4)(H,5,6);1H2