1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]pyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]pyrazole-4-carboxamide Formula: C26H32FN4O3+ MolecularWeight: 467.555683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)F)[NH+]4CCOCC4

Isomeric SMILES

CC(C)[C@@H](CNC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C26H31FN4O3/c1-18(2)24(30-11-13-34-14-12-30)16-28-26(32)23-17-31(21-9-7-20(27)8-10-21)29-25(23)19-5-4-6-22(15-19)33-3/h4-10,15,17-18,24H,11-14,16H2,1-3H3,(H,28,32)/p+1/t24-/m1/s1