2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-phenyl-4-pyrazolyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C21H26N4OS/c26-11-8-20-16-23(9-10-24(20)17-21-7-4-12-27-21)14-18-13-22-25(15-18)19-5-2-1-3-6-19/h1-7,12-13,15,20,26H,8-11,14,16-17H2/p+1/t20-/m0/s1