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

Systemtic Name: 2-[(2S)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CSC=C3

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C18H28N4OS/c1-14(2)18-9-16(19-20-18)11-21-5-6-22(17(12-21)3-7-23)10-15-4-8-24-13-15/h4,8-9,13-14,17,23H,3,5-7,10-12H2,1-2H3,(H,19,20)/p+1/t17-/m0/s1