5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H23N3O2S/c1-24-17-8-6-15(7-9-17)18-5-3-2-4-11-23(18)13-19-21-20(22-25-19)16-10-12-26-14-16/h6-10,12,14,18H,2-5,11,13H2,1H3/p+1/t18-/m1/s1