1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium

Systemtic Name: 1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium Openeye Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium CAS Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(2-methoxyethyl)piperazin-1-ium IUPAC Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium Traditional Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium Formula: C24H30FN4O2+ MolecularWeight: 425.519003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

COCCN1CC[NH+](CC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C24H29FN4O2/c1-30-15-14-27-10-12-28(13-11-27)17-19-18-29(20-6-4-3-5-7-20)26-24(19)22-9-8-21(31-2)16-23(22)25/h3-9,16,18H,10-15,17H2,1-2H3/p+1