5-[[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-3-phenethyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-3-phenethyl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(3-methyl-2-pyridyl)methyl]piperazin-1-ium-1-yl]methyl]-3-phenethyl-1,2,4-oxadiazole CAS Name: 5-[[4-[(3-methyl-2-pyridinyl)methyl]-1-piperazin-1-iumyl]methyl]-3-phenethyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-3-phenethyl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(3-methyl-2-pyridyl)methyl]piperazin-1-ium-1-yl]methyl]-3-phenethyl-1,2,4-oxadiazole Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CN2CC[NH+](CC2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CC=C1)CN2CC[NH+](CC2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-18-6-5-11-23-20(18)16-26-12-14-27(15-13-26)17-22-24-21(25-28-22)10-9-19-7-3-2-4-8-19/h2-8,11H,9-10,12-17H2,1H3/p+1