3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-16-21(17(2)26(24-16)18-7-4-3-5-8-18)22(27)23-15-19(20-9-6-14-29-20)25-10-12-28-13-11-25/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1