1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)OC1

InChI

InChI=1S/C20H24N4O4/c25-20(23-16-3-4-17-18(12-16)28-9-1-8-27-17)22-14-15-2-5-19(21-13-15)24-6-10-26-11-7-24/h2-5,12-13H,1,6-11,14H2,(H2,22,23,25)/p+1