3-(4-methylphenyl)-2-phenyl-5-piperidin-1-ium-1-ylidene-1,2,4-thiadiazole

Systemtic Name: 3-(4-methylphenyl)-2-phenyl-5-piperidin-1-ium-1-ylidene-1,2,4-thiadiazole Openeye Name: 2-phenyl-5-piperidin-1-ium-1-ylidene-3-(p-tolyl)-1,2,4-thiadiazole CAS Name: 3-(4-methylphenyl)-2-phenyl-5-(1-piperidin-1-iumylidene)-1,2,4-thiadiazole IUPAC Name: 3-(4-methylphenyl)-2-phenyl-5-piperidin-1-ium-1-ylidene-1,2,4-thiadiazole Traditional Name: 2-phenyl-5-piperidin-1-ium-1-ylidene-3-(p-tolyl)-1,2,4-thiadiazole Formula: C20H22N3S+ MolecularWeight: 336.47378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCCC3)SN2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCCC3)SN2C4=CC=CC=C4

InChI

InChI=1S/C20H22N3S/c1-16-10-12-17(13-11-16)19-21-20(22-14-6-3-7-15-22)24-23(19)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-15H2,1H3/q+1