1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl]-piperonyl-ammonium Formula: C26H40N3O4+ MolecularWeight: 458.6135

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)N5CCOCC5

InChI

InChI=1S/C26H39N3O4/c30-25(27-19-26(10-4-1-5-11-26)29-12-14-31-15-13-29)18-28(22-6-2-3-7-22)17-21-8-9-23-24(16-21)33-20-32-23/h8-9,16,22H,1-7,10-15,17-20H2,(H,27,30)/p+1