6-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole

Systemtic Name: 6-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole Openeye Name: 6-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole CAS Name: 6-(4-methoxyphenyl)-2-(1-piperidin-1-iumylidene)-3H-imidazo[2,1-b][1,3,4]thiadiazole IUPAC Name: 6-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole Traditional Name: 6-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole Formula: C16H19N4OS+ MolecularWeight: 315.41326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN3C(=N2)SC(=[N+]4CCCCC4)N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN3C(=N2)SC(=[N+]4CCCCC4)N3

InChI

InChI=1S/C16H18N4OS/c1-21-13-7-5-12(6-8-13)14-11-20-15(17-14)22-16(18-20)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3/p+1