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

Systemtic Name: 2-[(2S)-4-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-1-propyl-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:

CCCN1C(=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CSC=C3)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3)C

InChI

InChI=1S/C19H30N4OS/c1-3-6-23-16(2)18(11-20-23)13-21-7-8-22(19(14-21)4-9-24)12-17-5-10-25-15-17/h5,10-11,15,19,24H,3-4,6-9,12-14H2,1-2H3/p+1/t19-/m0/s1