1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-3-morpholin-4-ium-4-yl-propan-1-one Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C18H21N3O2S2/c22-18(5-6-20-7-9-23-10-8-20)21-15(17-4-2-12-25-17)13-14(19-21)16-3-1-11-24-16/h1-4,11-12,15H,5-10,13H2/p+1/t15-/m1/s1