2-[(2S)-4-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O/c1-25-13-14-26(18-22(25)12-15-28)16-20-17-27(21-10-6-3-7-11-21)24-23(20)19-8-4-2-5-9-19/h2-11,17,22,28H,12-16,18H2,1H3/p+1/t22-/m0/s1