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

Systemtic Name: 2-[(2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]-1,3-thiazole Openeye Name: 2-[(2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]thiazole CAS Name: 2-[(2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]thiazole IUPAC Name: 2-[(2S)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]-1,3-thiazole Traditional Name: 2-[(2S)-1-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]thiazole Formula: C22H29N4O2S2+ MolecularWeight: 445.62126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCCC3C4=NC=CS4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC[C@H]3C4=NC=CS4

InChI

InChI=1S/C22H28N4O2S2/c1-30(27,28)22-24-16-19(26(22)14-7-10-18-8-3-2-4-9-18)17-25-13-6-5-11-20(25)21-23-12-15-29-21/h2-4,8-9,12,15-16,20H,5-7,10-11,13-14,17H2,1H3/p+1/t20-/m0/s1