4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-oxazepane

Systemtic Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-oxazepane Openeye Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-oxazepane CAS Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumyl]-1,4-oxazepane IUPAC Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-oxazepane Traditional Name: 4-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-1,4-oxazepane Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCOC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3/c1-2-5-16(6-3-1)25-14-17-21-19(26-22-17)15-7-8-18(20-13-15)23-9-4-11-24-12-10-23/h1-3,5-8,13H,4,9-12,14H2/p+1