3-(3,4-dimethoxyphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)11-16-18-17(19-23-16)13-4-5-14(21-2)15(10-13)22-3/h4-5,10,12H,6-9,11H2,1-3H3/p+1