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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C21H32N4OS/c26-11-8-19-15-24(9-10-25(19)16-20-7-4-12-27-20)14-18-13-22-23-21(18)17-5-2-1-3-6-17/h4,7,12-13,17,19,26H,1-3,5-6,8-11,14-16H2,(H,22,23)/p+1/t19-/m0/s1