(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl-[(2-imidazol-1-ylpyridin-3-yl)methyl]azanium

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-5-yl)methyl-[(2-imidazol-1-ylpyridin-3-yl)methyl]azanium Openeye Name: (2,2-dimethyl-3H-benzofuran-5-yl)methyl-[(2-imidazol-1-yl-3-pyridyl)methyl]ammonium CAS Name: (2,2-dimethyl-3H-benzofuran-5-yl)methyl-[[2-(1-imidazolyl)-3-pyridinyl]methyl]ammonium IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-5-yl)methyl-[(2-imidazol-1-ylpyridin-3-yl)methyl]azanium Traditional Name: (2,2-dimethylcoumaran-5-yl)methyl-[(2-imidazol-1-yl-3-pyridyl)methyl]ammonium Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=CC(=C2)C[NH2+]CC3=C(N=CC=C3)N4C=CN=C4)C

Isomeric SMILES

CC1(CC2=C(O1)C=CC(=C2)C[NH2+]CC3=C(N=CC=C3)N4C=CN=C4)C

InChI

InChI=1S/C20H22N4O/c1-20(2)11-17-10-15(5-6-18(17)25-20)12-22-13-16-4-3-7-23-19(16)24-9-8-21-14-24/h3-10,14,22H,11-13H2,1-2H3/p+1