N,2-dimethyl-6-[2-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-4-yl]oxy-1-benzofuran-3-carboxamide

Systemtic Name: N,2-dimethyl-6-[2-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-4-yl]oxy-1-benzofuran-3-carboxamide Openeye Name: 6-[2-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-4-yl]oxy-N,2-dimethyl-benzofuran-3-carboxamide CAS Name: 6-[[2-[(4-hydroxycyclohexyl)amino]-4-pyridin-1-iumyl]oxy]-N,2-dimethyl-3-benzofurancarboxamide IUPAC Name: 6-[2-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide Traditional Name: 6-[2-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-4-yl]oxy-N,2-dimethyl-benzofuran-3-carboxamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=C(C=C2)OC3=CC(=[NH+]C=C3)NC4CCC(CC4)O)C(=O)NC

Isomeric SMILES

CC1=C(C2=C(O1)C=C(C=C2)OC3=CC(=[NH+]C=C3)NC4CCC(CC4)O)C(=O)NC

InChI

InChI=1S/C22H25N3O4/c1-13-21(22(27)23-2)18-8-7-16(11-19(18)28-13)29-17-9-10-24-20(12-17)25-14-3-5-15(26)6-4-14/h7-12,14-15,26H,3-6H2,1-2H3,(H,23,27)(H,24,25)/p+1