5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]-1-piperidin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2CCC[NH+](C2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H]2CCC[NH+](C2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-26-19-10-5-11-20(13-19)27-16-17-7-6-12-25(14-17)15-21-23-22(24-28-21)18-8-3-2-4-9-18/h2-5,8-11,13,17H,6-7,12,14-16H2,1H3/p+1/t17-/m0/s1