3-(diphenylmethyl)-5-[[4-(3-methoxypropyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(diphenylmethyl)-5-[[4-(3-methoxypropyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[[4-(3-methoxypropyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[[4-(3-methoxypropyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[[4-(3-methoxypropyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[4-(3-methoxypropyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CC[NH+](CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCCC1CC[NH+](CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-29-18-8-9-20-14-16-28(17-15-20)19-23-26-25(27-30-23)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,24H,8-9,14-19H2,1H3/p+1