2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

InChI

InChI=1S/C24H31N5O/c1-19-7-6-10-22(25-19)17-29-13-12-28(18-23(29)11-14-30)16-21-15-27(2)26-24(21)20-8-4-3-5-9-20/h3-10,15,23,30H,11-14,16-18H2,1-2H3/p+1/t23-/m0/s1