2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCN(C(C2)CCO)CC3=CSC=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3)C

InChI

InChI=1S/C19H30N4OS/c1-4-23-16(3)19(15(2)20-23)13-21-7-8-22(18(12-21)5-9-24)11-17-6-10-25-14-17/h6,10,14,18,24H,4-5,7-9,11-13H2,1-3H3/p+1/t18-/m0/s1