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

Systemtic Name: 1-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O4/c1-14-16-4-2-3-5-17(16)30-19(14)20(27)24-25-21(28)23-13-15-6-7-18(22-12-15)26-8-10-29-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,24,27)(H2,23,25,28)/p+1