N-[4,5-dimethoxy-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4,5-dimethoxy-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[4,5-dimethoxy-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4,5-dimethoxy-2-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4,5-dimethoxy-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4,5-dimethoxy-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]phenyl]cyclohexanecarboxamide Formula: C25H38N3O5+ MolecularWeight: 460.58632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3CCCO3)NC(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)C[C@H]3CCCO3)NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C25H37N3O5/c1-31-22-15-20(21(16-23(22)32-2)26-24(29)18-7-4-3-5-8-18)25(30)28-12-10-27(11-13-28)17-19-9-6-14-33-19/h15-16,18-19H,3-14,17H2,1-2H3,(H,26,29)/p+1/t19-/m1/s1