5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole-4-thiolate

Systemtic Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole-4-thiolate Openeye Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-thiazole-4-thiolate CAS Name: 5-methyl-3-(4-nitrophenyl)-2-(1-piperidin-1-iumylidene)-4-thiazolethiolate IUPAC Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole-4-thiolate Traditional Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-4-thiazoline-4-thiolate Formula: C15H17N3O2S2 MolecularWeight: 335.44438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=C(C=C3)[N+](=O)[O-])[S-]

Isomeric SMILES

CC1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=C(C=C3)[N+](=O)[O-])[S-]

InChI

InChI=1S/C15H17N3O2S2/c1-11-14(21)17(12-5-7-13(8-6-12)18(19)20)15(22-11)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3