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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)CCO)CC4=CC=CS4

InChI

InChI=1S/C21H26N4OS/c26-13-8-20-16-23(11-12-24(20)17-21-3-1-14-27-21)15-18-4-6-19(7-5-18)25-10-2-9-22-25/h1-7,9-10,14,20,26H,8,11-13,15-17H2/p+1/t20-/m0/s1