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

Systemtic Name: 2-[(2S)-4-(3-pyrazol-1-ylpropyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(3-pyrazol-1-ylpropyl)-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[3-(1-pyrazolyl)propyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(3-pyrazol-1-ylpropyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-pyrazol-1-ylpropyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CCCN3C=CC=N3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CCCN3C=CC=N3

InChI

InChI=1S/C17H26N4OS/c22-11-3-17-14-19(6-2-8-21-7-1-5-18-21)9-10-20(17)13-16-4-12-23-15-16/h1,4-5,7,12,15,17,22H,2-3,6,8-11,13-14H2/p+1/t17-/m0/s1