azepan-1-yl-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O3/c1-28-19-9-5-4-8-18(19)21-23-20(29-24-21)16-25-14-10-17(11-15-25)22(27)26-12-6-2-3-7-13-26/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3/p+1