3-(piperidin-1-ium-1-ylmethyl)-4,5-dithiophen-2-yl-1H-imidazole-2-thione

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)-4,5-dithiophen-2-yl-1H-imidazole-2-thione Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-4,5-bis(2-thienyl)-1H-imidazole-2-thione CAS Name: 3-(1-piperidin-1-iumylmethyl)-4,5-dithiophen-2-yl-1H-imidazole-2-thione IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)-4,5-dithiophen-2-yl-1H-imidazole-2-thione Traditional Name: 1-(piperidin-1-ium-1-ylmethyl)-4,5-bis(2-thienyl)-4-imidazoline-2-thione Formula: C17H20N3S3+ MolecularWeight: 362.5558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=C(NC2=S)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=C(NC2=S)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C17H19N3S3/c21-17-18-15(13-6-4-10-22-13)16(14-7-5-11-23-14)20(17)12-19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,21)/p+1