1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(3,4-dimethylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(3,4-dimethylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O2S/c1-16-8-9-19(14-17(16)2)22-25-27(23(30)29-22)15-26-12-10-18(11-13-26)21(28)24-20-6-4-3-5-7-20/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,28)/p+1