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

Systemtic Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-4-pyrazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(3-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=CSC=C3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C16H24N4OS/c1-18-9-15(8-17-18)10-19-4-5-20(16(12-19)2-6-21)11-14-3-7-22-13-14/h3,7-9,13,16,21H,2,4-6,10-12H2,1H3/p+1/t16-/m0/s1