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

Systemtic Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCN(C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCN([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H32N4OS/c26-10-6-20-15-24(8-9-25(20)13-17-7-11-27-16-17)14-19-12-22-23-21(19)18-4-2-1-3-5-18/h7,11-12,16,18,20,26H,1-6,8-10,13-15H2,(H,22,23)/p+1/t20-/m0/s1