1-benzofuran-2-ylmethyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: benzofuran-2-ylmethyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: 2-benzofuranylmethyl-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: benzofuran-2-ylmethyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]ammonium Formula: C19H25N3O+2 MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C19H23N3O/c1-3-22(4-2)19-16(9-7-11-21-19)13-20-14-17-12-15-8-5-6-10-18(15)23-17/h5-12,20H,3-4,13-14H2,1-2H3/p+2