N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-6-methyl-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-6-methyl-2,3-dihydro-p-dioxin-5-carboxamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OCCO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=C(OCCO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C19H27N3O3/c1-15-17(25-13-12-24-15)19(23)21-14-16-8-7-9-20-18(16)22-10-5-3-2-4-6-11-22/h7-9H,2-6,10-14H2,1H3,(H,21,23)/p+1