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

Systemtic Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-phenyl-4-pyrazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-phenylpyrazol-4-yl)methyl]-1-(3-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=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H26N4OS/c26-10-6-21-16-23(8-9-24(21)14-18-7-11-27-17-18)13-19-12-22-25(15-19)20-4-2-1-3-5-20/h1-5,7,11-12,15,17,21,26H,6,8-10,13-14,16H2/p+1/t21-/m0/s1