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

Systemtic Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-4-pyrazolyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C16H24N4OS/c1-18-10-14(9-17-18)11-19-5-6-20(15(12-19)4-7-21)13-16-3-2-8-22-16/h2-3,8-10,15,21H,4-7,11-13H2,1H3/p+1/t15-/m0/s1