1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-methyl-urea

Systemtic Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-methyl-urea Openeye Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-methyl-urea CAS Name: 1-[4,7-dimethoxy-6-[2-(1-pyrrolidin-1-iumyl)ethoxy]-5-benzofuranyl]-3-methylurea IUPAC Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea Traditional Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-methyl-urea Formula: C18H26N3O5+ MolecularWeight: 364.41614

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C2=C(C(=C1OCC[NH+]3CCCC3)OC)OC=C2)OC

Isomeric SMILES

CNC(=O)NC1=C(C2=C(C(=C1OCC[NH+]3CCCC3)OC)OC=C2)OC

InChI

InChI=1S/C18H25N3O5/c1-19-18(22)20-13-14(23-2)12-6-10-25-15(12)17(24-3)16(13)26-11-9-21-7-4-5-8-21/h6,10H,4-5,7-9,11H2,1-3H3,(H2,19,20,22)/p+1