5-[6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole Openeye Name: 5-[6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole CAS Name: 5-[6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole Traditional Name: 5-[6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c1-24-10-5-11-25(13-12-24)19-9-8-16(14-21-19)20-22-18(23-27-20)15-26-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3/p+1