methyl 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-p-phenetyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-3-24-15-6-4-13(5-7-15)17-19-16(25-20-17)12-21-10-8-14(9-11-21)18(22)23-2/h4-7,14H,3,8-12H2,1-2H3/p+1