2-[(2S)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-(5-methyl-2-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C20H31N4O+ MolecularWeight: 343.48634

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-16(2)23-11-10-22(15-19(23)7-12-25)14-18-13-17(3)5-6-20(18)24-9-4-8-21-24/h4-6,8-9,13,16,19,25H,7,10-12,14-15H2,1-3H3/p+1/t19-/m0/s1