cyclohexyl-[(cyclohexylamino)-(5-oxidanylidene-5-phenylmethoxy-pentanoyl)oxy-methylidene]azanium

Systemtic Name: cyclohexyl-[(cyclohexylamino)-(5-oxidanylidene-5-phenylmethoxy-pentanoyl)oxy-methylidene]azanium Openeye Name: [(5-benzyloxy-5-oxo-pentanoyl)oxy-(cyclohexylamino)methylene]-cyclohexyl-ammonium CAS Name: cyclohexyl-[(cyclohexylamino)-(1,5-dioxo-5-phenylmethoxypentoxy)methylidene]ammonium IUPAC Name: cyclohexyl-[(cyclohexylamino)-(5-oxo-5-phenylmethoxypentanoyl)oxymethylidene]azanium Traditional Name: [(5-benzoxy-5-keto-pentanoyl)oxy-(cyclohexylamino)methylene]-cyclohexyl-ammonium Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=[NH+]C2CCCCC2)OC(=O)CCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=[NH+]C2CCCCC2)OC(=O)CCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H36N2O4/c28-23(30-19-20-11-4-1-5-12-20)17-10-18-24(29)31-25(26-21-13-6-2-7-14-21)27-22-15-8-3-9-16-22/h1,4-5,11-12,21-22H,2-3,6-10,13-19H2,(H,26,27)/p+1