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

Systemtic Name: 2-[(2S)-4-[(3-pyrazol-1-ylphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-pyrazol-1-ylphenyl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(1-pyrazolyl)phenyl]methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-pyrazol-1-ylphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-pyrazol-1-ylbenzyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N4OS/c26-11-5-21-16-23(9-10-24(21)15-19-6-12-27-17-19)14-18-3-1-4-20(13-18)25-8-2-7-22-25/h1-4,6-8,12-13,17,21,26H,5,9-11,14-16H2/p+1/t21-/m0/s1