2-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]-1,3-thiazole

Systemtic Name: 2-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]-1,3-thiazole Openeye Name: 2-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]thiazole CAS Name: 2-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]thiazole IUPAC Name: 2-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]-1,3-thiazole Traditional Name: 2-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]thiazole Formula: C21H33N4O2S2+ MolecularWeight: 437.64232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCCCC3C4=NC=CS4

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCCC[C@H]3C4=NC=CS4

InChI

InChI=1S/C21H32N4O2S2/c1-2-3-12-25-18(14-23-21(25)29(26,27)16-17-7-6-8-17)15-24-11-5-4-9-19(24)20-22-10-13-28-20/h10,13-14,17,19H,2-9,11-12,15-16H2,1H3/p+1/t19-/m0/s1