(3S)-1,3-dimethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-1,3-dimethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3S)-1,3-dimethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3S)-1,3-dimethyl-4-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3S)-1,3-dimethyl-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3S)-1,3-dimethyl-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:

CC1C(=O)N(CC[NH+]1CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-17-23(28)25(2)13-14-27(17)16-19-15-26(3)24-22(19)18-9-11-21(12-10-18)29-20-7-5-4-6-8-20/h4-12,15,17H,13-14,16H2,1-3H3/p+1/t17-/m0/s1