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

Systemtic Name: 3-cyclopropyl-5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-cyclopropyl-5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-cyclopropyl-5-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-cyclopropyl-5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-cyclopropyl-5-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=NO3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=NO3)C4CC4

InChI

InChI=1S/C19H25N3O2/c1-23-16-10-8-14(9-11-16)17-5-3-2-4-12-22(17)13-18-20-19(21-24-18)15-6-7-15/h8-11,15,17H,2-7,12-13H2,1H3/p+1/t17-/m1/s1