[4-[[3-(2-acetamidoethyl)-5-methoxy-1-benzofuran-2-yl]methyl]pyridin-1-ium-1-yl]iminoazanide

Systemtic Name: [4-[[3-(2-acetamidoethyl)-5-methoxy-1-benzofuran-2-yl]methyl]pyridin-1-ium-1-yl]iminoazanide Openeye Name: [4-[[3-(2-acetamidoethyl)-5-methoxy-benzofuran-2-yl]methyl]pyridin-1-ium-1-yl]iminoazanide CAS Name: [4-[[3-(2-acetamidoethyl)-5-methoxy-2-benzofuranyl]methyl]-1-pyridin-1-iumyl]iminoazanide IUPAC Name: [4-[[3-(2-acetamidoethyl)-5-methoxy-1-benzofuran-2-yl]methyl]pyridin-1-ium-1-yl]iminoazanide Traditional Name: [4-[[3-(2-acetamidoethyl)-5-methoxy-benzofuran-2-yl]methyl]pyridin-1-ium-1-yl]iminoazanide Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(OC2=C1C=C(C=C2)OC)CC3=CC=[N+](C=C3)N=[N-]

Isomeric SMILES

CC(=O)NCCC1=C(OC2=C1C=C(C=C2)OC)CC3=CC=[N+](C=C3)N=[N-]

InChI

InChI=1S/C19H20N4O3/c1-13(24)21-8-5-16-17-12-15(25-2)3-4-18(17)26-19(16)11-14-6-9-23(22-20)10-7-14/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)