2-[(2S)-1-(3-phenylpropyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-phenyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c30-17-13-25-21-27(15-16-28(25)14-7-10-22-8-3-1-4-9-22)19-23-18-26-29(20-23)24-11-5-2-6-12-24/h1-6,8-9,11-12,18,20,25,30H,7,10,13-17,19,21H2/p+1/t25-/m0/s1