N-[1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl]-4-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl]pyrazol-4-yl]-piperonylamide Formula: C24H32N5O5+ MolecularWeight: 470.54138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C=C(C=N2)NC(=O)C3=CC4=C(C=C3)OCO4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C=C(C=N2)NC(=O)C3=CC4=C(C=C3)OCO4)[NH+]5CCOCC5

InChI

InChI=1S/C24H31N5O5/c30-22(25-16-24(6-2-1-3-7-24)28-8-10-32-11-9-28)15-29-14-19(13-26-29)27-23(31)18-4-5-20-21(12-18)34-17-33-20/h4-5,12-14H,1-3,6-11,15-17H2,(H,25,30)(H,27,31)/p+1