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

Systemtic Name: 5-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methoxyphenyl)-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-methoxyphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H21N3O2S/c1-12-7-9-18(10-8-12)11-19-16(22)21-15(17-19)13-3-5-14(20-2)6-4-13/h3-6,12H,7-11H2,1-2H3/p+1