3-[(4-aminophenyl)carbonyl-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate; hydrate

Systemtic Name: 3-[(4-aminophenyl)carbonyl-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate; hydrate Openeye Name: 3-[(4-aminobenzoyl)-[2-(dicyclohexylamino)-2-oxo-ethyl]amino]propyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate; hydrate CAS Name: 3-[[(4-aminophenyl)-oxomethyl]-[2-(dicyclohexylamino)-2-oxoethyl]amino]propyl-diethylammonium; 2-hydroxy-2-oxoacetate; hydrate IUPAC Name: 3-[(4-aminobenzoyl)-[2-(dicyclohexylamino)-2-oxoethyl]amino]propyl-diethylazanium; 2-hydroxy-2-oxoacetate; hydrate Traditional Name: 3-[(4-aminobenzoyl)-[2-(dicyclohexylamino)-2-keto-ethyl]amino]propyl-diethyl-ammonium binoxalate hydrate Formula: C30H50N4O7 MolecularWeight: 578.7406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N.C(=O)(C(=O)[O-])O.O

Isomeric SMILES

CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N.C(=O)(C(=O)[O-])O.O

InChI

InChI=1S/C28H46N4O2.C2H2O4.H2O/c1-3-30(4-2)20-11-21-31(28(34)23-16-18-24(29)19-17-23)22-27(33)32(25-12-7-5-8-13-25)26-14-9-6-10-15-26;3-1(4)2(5)6;/h16-19,25-26H,3-15,20-22,29H2,1-2H3;(H,3,4)(H,5,6);1H2