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

Systemtic Name: 2-[(2S)-1-methyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-(3-pyrazol-1-ylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)N3C=CC=N3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)N3C=CC=N3

InChI

InChI=1S/C17H24N4O/c1-19-9-10-20(14-17(19)6-11-22)13-15-4-2-5-16(12-15)21-8-3-7-18-21/h2-5,7-8,12,17,22H,6,9-11,13-14H2,1H3/p+1/t17-/m0/s1