1-[(3S)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-5-(2,3-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C21H26N3O4S+ MolecularWeight: 416.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@@H]2CC(=NN2C(=O)C[NH+]3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S/c1-26-18-6-3-5-15(21(18)27-2)17-13-16(19-7-4-12-29-19)22-24(17)20(25)14-23-8-10-28-11-9-23/h3-7,12,17H,8-11,13-14H2,1-2H3/p+1/t17-/m0/s1