4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N4O2S/c1-16-14-17(2)26(24-16)19-7-5-18(6-8-19)22(27)23-15-20(21-4-3-13-29-21)25-9-11-28-12-10-25/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,23,27)/p+1/t20-/m1/s1