4-chloranyl-N-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-chloranyl-N-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-chloro-N-[2-(dicyclohexylamino)-2-oxo-ethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide; 2-hydroxy-2-oxo-acetate CAS Name: 4-chloro-N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide; 2-hydroxy-2-oxoacetate IUPAC Name: 4-chloro-N-[2-(dicyclohexylamino)-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide; 2-hydroxy-2-oxoacetate Traditional Name: 4-chloro-N-[2-(dicyclohexylamino)-2-keto-ethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide binoxalate Formula: C29H42ClN3O7 MolecularWeight: 580.11268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CN(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)Cl.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CN(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)Cl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C27H40ClN3O3.C2H2O4/c28-23-13-11-22(12-14-23)27(33)30(16-15-29-17-19-34-20-18-29)21-26(32)31(24-7-3-1-4-8-24)25-9-5-2-6-10-25;3-1(4)2(5)6/h11-14,24-25H,1-10,15-21H2;(H,3,4)(H,5,6)