5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole

Systemtic Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole Openeye Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-thiazole CAS Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)-2-(1-piperidin-1-iumylidene)thiazole IUPAC Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole Traditional Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-4-thiazoline Formula: C21H21ClN3O2S2+ MolecularWeight: 446.99334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC(=[N+]2CCCCC2)N1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=C(SC(=[N+]2CCCCC2)N1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN3O2S2/c1-28-20-19(15-5-7-16(22)8-6-15)29-21(23-13-3-2-4-14-23)24(20)17-9-11-18(12-10-17)25(26)27/h5-12H,2-4,13-14H2,1H3/q+1