(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-one CAS Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(1-phenyl-4-pyrazolyl)methyl]-2-piperazin-4-iumone IUPAC Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-17-13-24(14-18-12-23-25(15-18)19-7-4-3-5-8-19)16-22(27)26(17)20-9-6-10-21(11-20)28-2/h3-12,15,17H,13-14,16H2,1-2H3/p+1/t17-/m1/s1