cyclohexyl-[(cyclohexylamino)-phenoxy-methylidene]azanium; ethanedioate

Systemtic Name: cyclohexyl-[(cyclohexylamino)-phenoxy-methylidene]azanium; ethanedioate Openeye Name: cyclohexyl-[(cyclohexylamino)-phenoxy-methylene]ammonium; oxalate CAS Name: cyclohexyl-[(cyclohexylamino)-phenoxymethylidene]ammonium; oxalate IUPAC Name: cyclohexyl-[(cyclohexylamino)-phenoxymethylidene]azanium; oxalate Traditional Name: cyclohexyl-[(cyclohexylamino)-phenoxy-methylene]ammonium; oxalate Formula: C40H58N4O6 MolecularWeight: 690.91172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=[NH+]C2CCCCC2)OC3=CC=CC=C3.C1CCC(CC1)NC(=[NH+]C2CCCCC2)OC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CCC(CC1)NC(=[NH+]C2CCCCC2)OC3=CC=CC=C3.C1CCC(CC1)NC(=[NH+]C2CCCCC2)OC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C19H28N2O.C2H2O4/c2*1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;3-1(4)2(5)6/h2*3,8-9,14-17H,1-2,4-7,10-13H2,(H,20,21);(H,3,4)(H,5,6)