(3R)-3-ethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-ethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-ethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-ethyl-4-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-ethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-ethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O2/c1-3-21-23(28)24-13-14-27(21)16-18-15-26(2)25-22(18)17-9-11-20(12-10-17)29-19-7-5-4-6-8-19/h4-12,15,21H,3,13-14,16H2,1-2H3,(H,24,28)/p+1/t21-/m1/s1