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

Systemtic Name: 2-[(2S)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(5-methyl-2-pyrazol-1-yl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O/c1-20-8-9-24(28-12-5-11-25-28)22(16-20)18-26-13-14-27(23(19-26)10-15-29)17-21-6-3-2-4-7-21/h2-9,11-12,16,23,29H,10,13-15,17-19H2,1H3/p+1/t23-/m0/s1