1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]urea Formula: C21H30N6O2+2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H28N6O2/c28-21(24-15-17-5-6-19(23-14-17)26-8-1-2-9-26)25-16-18-4-3-7-22-20(18)27-10-12-29-13-11-27/h3-7,14H,1-2,8-13,15-16H2,(H2,24,25,28)/p+2