1-(6-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydropyrano[3,2-c]pyridin-6-ium-4-yl)azepan-2-one bromide

Systemtic Name: 1-(6-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydropyrano[3,2-c]pyridin-6-ium-4-yl)azepan-2-one bromide Openeye Name: 1-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-6-ium-4-yl)azepan-2-one bromide CAS Name: 1-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-6-ium-4-yl)-2-azepanone bromide IUPAC Name: 1-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-6-ium-4-yl)azepan-2-one bromide Traditional Name: 1-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-6-ium-4-yl)azepan-2-one bromide Formula: C16H24BrN3O3 MolecularWeight: 386.28406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C[N+](=C2)N)N3CCCCCC3=O)O)C.[Br-]

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C[N+](=C2)N)N3CCCCCC3=O)O)C.[Br-]

InChI

InChI=1S/C16H24N3O3.BrH/c1-16(2)15(21)14(19-8-5-3-4-6-13(19)20)11-10-18(17)9-7-12(11)22-16;/h7,9-10,14-15,21H,3-6,8,17H2,1-2H3;1H/q+1;/p-1