2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+](C(C3)CCO)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+]([C@H](C3)CCO)C(C)C)C

InChI

InChI=1S/C21H32N4O/c1-16(2)24-10-9-23(14-19(24)6-11-26)15-20-18(4)12-17(3)13-21(20)25-8-5-7-22-25/h5,7-8,12-13,16,19,26H,6,9-11,14-15H2,1-4H3/p+1/t19-/m0/s1