2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4O/c1-15-11-17(20-19-15)13-21-8-9-22(18(14-21)7-10-23)12-16-5-3-2-4-6-16/h2-6,11,18,23H,7-10,12-14H2,1H3,(H,19,20)/p+1/t18-/m0/s1