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

Systemtic Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-4-pyrazolyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C17H26N4OS/c1-2-21-12-15(10-18-21)11-19-6-7-20(16(13-19)5-8-22)14-17-4-3-9-23-17/h3-4,9-10,12,16,22H,2,5-8,11,13-14H2,1H3/p+1/t16-/m0/s1